Sugi Predict

Sugi Predict / Compounds / SCHEMBL12518488

SCHEMBL12518488

SCHEMBL12518488

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.77
▸ ALK Q9UM73 6/20 0.76
▸ INSR P06213 5/20 0.76
▸ IGF1R P08069 5/20 0.76
▸ JAK3 P52333 5/20 0.72
▸ BTK Q06187 4/20 0.72
▸ JAK2 O60674 2/20 0.72
▸ FLT3 P36888 2/20 0.72
▸ BLK P51451 2/20 0.72
▸ ITK Q08881 2/20 0.72
▸ JAK1 P23458 1/20 0.72
▸ TTK P33981 1/20 0.72
▸ TXK P42681 1/20 0.72
▸ PLK4 O00444 1/20 0.71
▸ GAK O14976 1/20 0.71
▸ NUAK1 O60285 1/20 0.71
▸ BMX P51813 1/20 0.71
▸ CTSC P53634 1/20 0.71
▸ PTK2 Q05397 1/20 0.71
▸ ERBB4 Q15303 1/20 0.71

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
SCHEMBL10128042 0.94 EGFR (0.86) EGFRALKJAK3BTKJAK2
SCHEMBL12518502 0.92 EGFR (0.73) EGFRALKINSRIGF1RJAK3
SCHEMBL24486575 0.91 ALK (0.71) EGFRALKINSRIGF1RJAK3
SCHEMBL18970175 0.90 EGFR (0.86) EGFRALKJAK3BTKGAK
SCHEMBL10127856 0.90 EGFR (0.88) EGFRALKJAK3BTKJAK2
SCHEMBL17059607 0.87 EGFR (1.00) EGFRALKINSRIGF1RJAK3
SCHEMBL2722635 0.87 EGFR (1.00) EGFRALKINSRJAK3BTK
SCHEMBL26089861 0.86 ALK (1.00) EGFRALKINSRIGF1RJAK3
SCHEMBL2724456 0.86 EGFR (1.00) EGFRALKJAK3BTKGAK
SCHEMBL18371447 0.86 JAK3 (0.81) EGFRALKJAK3BTKJAK2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 — — US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 — — US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 — — US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 — — US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — US disclosed
US-8338439-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-25 — — US disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 — — WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — 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 (7 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-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ALK 337/4885INSR 1122/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EGFR 460/4885ALK 386/4885INSR 1786/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ALK 337/4885INSR 1122/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EGFR 460/4885ALK 386/4885INSR 1786/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ALK 337/4885INSR 1122/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EGFR 460/4885ALK 386/4885INSR 1786/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ALK 337/4885INSR 1122/4885

“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.