Sugi Predict

Sugi Predict / Compounds / SCHEMBL9945477

SCHEMBL9945477

SCHEMBL9945477

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C)c1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.86
▸ JAK3 P52333 2/20 0.81
▸ GAK O14976 1/20 0.81
▸ FES P07332 1/20 0.81
▸ FER P16591 1/20 0.81
▸ ERBB3 P21860 1/20 0.81
▸ TEC P42680 1/20 0.81
▸ CLK1 P49759 1/20 0.81
▸ PTK2 Q05397 1/20 0.81
▸ BTK Q06187 1/20 0.81
▸ TNK1 Q13470 1/20 0.81
▸ ALK Q9UM73 1/20 0.81
▸ MAPK3 P27361 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9945449 0.97 EGFR (0.82) EGFRJAK3GAKFESFER
SCHEMBL18371457 0.95 EGFR (0.78) EGFRJAK3GAKFESFER
SCHEMBL9945462 0.95 EGFR (0.81) EGFRJAK3GAKFESFER
SCHEMBL9945461 0.93 EGFR (0.82) EGFRJAK3GAKFESFER
SCHEMBL2724456 0.92 EGFR (1.00) EGFRJAK3GAKFESFER
SCHEMBL18371447 0.92 JAK3 (0.81) EGFRJAK3GAKFESFER
SCHEMBL9945468 0.92 EGFR (0.82) EGFRJAK3GAKFESFER
SCHEMBL9945447 0.92 EGFR (0.86) EGFRJAK3GAKFESFER
SCHEMBL9945467 0.92 EGFR (0.83) EGFRJAK3GAKFESFER
SCHEMBL4172819 0.92 EGFR (1.00) EGFRJAK3GAKFESFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11768205-B2 Methods and materials for identifying and treating cancers having elevated levels of phosphorylated ubiquitin MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-09-26 — — US disclosed
US-10005738-B2 Salts of an epidermal growth factor receptor kinase inhibitor CELGENE CAR LLC (BM) 2018-06-26 — — US disclosed
US-10004741-B2 Solid forms of an epidermal growth factor receptor kinase inhibitor CELGENE CAR LLC (BM) 2018-06-26 — — US disclosed
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 — — US disclosed
US-20170281623-A1 SOLID FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170266188-A1 Methods For the Treatment of Cancer EMORY UNIVERSITY 2017-09-21 — — US disclosed
US-20170217904-A1 SALTS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2017-08-03 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 — — US disclosed
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS JIANGSU MEDOLUTION LTD (CN) 2017-01-12 — — US disclosed
US-20160074399-A1 Salts of an Epidermal Growth Factor Receptor Kinase Inhibitor CLOVIS ONCOLOGY, INC. 2016-03-17 — — US disclosed
US-20160022677-A1 SOLID FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2016-01-28 — — US disclosed
US-20150344441-A1 SALTS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 — — US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 — — US disclosed
US-9108927-B2 Salts of an epidermal growth factor receptor kinase inhibitor CELGENE AVILOMICS RESEARCH, INC. (US) 2015-08-18 — — US disclosed
US-9056839-B2 Solid forms of an epidermal growth factor receptor kinase inhibitor CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-16 — — US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 — — US disclosed
US-20130267530-A1 SOLID FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2013-10-10 — — US disclosed
US-20130267531-A1 SALTS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR CELGENE AVILOMICS RESEARCH, INC. (US) 2013-10-10 — — US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170217904-A1 SALTS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 53/4885GAK 407/4885
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 EGFR 1/4885JAK3 24/4885GAK 372/4885
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK3 741/4885GAK 1852/4885
US-20170266188-A1 Methods For the Treatment of Cancer EGFR, MERTK, ERBB2 EGFR 1/4885JAK3 80/4885GAK 491/4885
US-20160022677-A1 SOLID FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 83/4885GAK 142/4885
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 65/4885GAK 123/4885
US-10005738-B2 Salts of an epidermal growth factor receptor kinase inhibitor EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 53/4885GAK 407/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK3 741/4885GAK 1852/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK3 741/4885GAK 1852/4885
US-20170281623-A1 SOLID FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 82/4885GAK 166/4885
US-20150344441-A1 SALTS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 53/4885GAK 407/4885
US-20130267531-A1 SALTS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885JAK3 53/4885GAK 407/4885
US-20130267530-A1 SOLID FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 83/4885GAK 142/4885
US-20160074399-A1 Salts of an Epidermal Growth Factor Receptor Kinase Inhibitor EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 227/4885GAK 242/4885
US-11768205-B2 Methods and materials for identifying and treating cancers having elevated levels of phosphorylated ubiquitin STUB1, ACP1, UBQLN2 EGFR 1707/4885JAK3 2051/4885GAK 1507/4885
US-10004741-B2 Solid forms of an epidermal growth factor receptor kinase inhibitor EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 82/4885GAK 166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.