Sugi Predict

Sugi Predict / Compounds / SCHEMBL4171563

SCHEMBL4171563

SCHEMBL4171563

CC(C)(C)OC(=O)Nc1cccc(Oc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.48
▸ JAK2 O60674 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ BMX P51813 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ BRAF P15056 2/20 0.43
▸ BTK Q06187 1/20 0.43
▸ STK17B O94768 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41

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
SCHEMBL9945483 0.90 EGFR (0.43) EGFRSYKRAF1BRAFMEN1
SCHEMBL13166463 0.89 SYK (0.51) EGFRSYKRAF1BRAFBTK
SCHEMBL29537718 0.89 EGFR (0.45) EGFRSYKRAF1BRAFBTK
SCHEMBL4175660 0.89 EGFR (0.45) EGFRSYKRAF1BRAFBTK
SCHEMBL4166321 0.88 EGFR (0.49) EGFRSYKRAF1BRAFBTK
SCHEMBL13498139 0.84 ALDH1A1 (0.58) MAPTHTTSYKKMT2A
SCHEMBL29537406 0.83 ALDH1A1 (0.45) EGFRSYKRAF1BRAFMEN1
SCHEMBL24392962 0.83 EGFR (0.48) EGFRJAK2BLKBMXJAK3
SCHEMBL29537347 0.83 EGFR (0.48) EGFRJAK2BLKBMXJAK3
SCHEMBL24393183 0.83 NTRK1 (0.45) RAF1BRAFMEN1KMT2ANR2E3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2022-07-14 — — US disclosed
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2020-09-03 — — US disclosed
US-10434101-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2019-10-08 — — US disclosed
US-9868723-B2 Mutant-selective EGFR inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-01-16 — — US disclosed
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 — — US disclosed
US-9868723-B2 Mutant-selective EGFR inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-01-16 — — US disclosed
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 — — US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 — — US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 — — US disclosed
US-20160332994-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-11-17 — — US disclosed
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
US-8796255-B2 Mutant-selective EGFR inhibitors and uses thereof Celgene Avilomics Research, Inc (US) 2014-08-05 — — US disclosed
US-8796255-B2 Mutant-selective EGFR inhibitors and uses thereof Celgene Avilomics Research, Inc (US) 2014-08-05 — — US disclosed
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-21 — — US disclosed
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-21 — — US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 — — US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 — — US disclosed
WO-2012064706-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-18 — — WO disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 — — WO 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 (8 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-20160332994-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 EGFR 1/4885JAK2 42/4885BLK 155/4885
US-10434101-B2 Heterocyclic compounds and uses thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK2 183/4885BLK 2327/4885
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK2 183/4885BLK 2327/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK2 183/4885BLK 2327/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK2 183/4885BLK 2327/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK2 183/4885BLK 2327/4885
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 EGFR 1/4885JAK2 42/4885BLK 155/4885
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 EGFR 1/4885JAK2 42/4885BLK 155/4885

“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.