Sugi Predict

Sugi Predict / Compounds / SCHEMBL4171567

SCHEMBL4171567

SCHEMBL4171567

Nc1cccc(Oc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.47
▸ PIN1 Q13526 4/20 0.46
▸ MAOB P27338 2/20 0.46
▸ F10 P00742 2/20 0.43
▸ POLB P06746 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ CASP6 P55212 1/20 0.37

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
SCHEMBL30635854 1.00 EGFR (0.47) EGFRPIN1MAOBF10POLB
SCHEMBL30672854 0.85 POLB (0.53) EGFRPIN1MAOBF10POLB
SCHEMBL4172984 0.85 PIN1 (0.44) EGFRPIN1MAOBF10POLB
SCHEMBL16706312 0.85 POLB (0.53) EGFRPIN1MAOBF10POLB
SCHEMBL9945481 0.85 PIN1 (0.47) EGFRPIN1MAOBF10POLB
SCHEMBL30672829 0.83 PIN1 (0.51) EGFRPIN1MAOBPOLBMAPT
SCHEMBL16391122 0.83 PIN1 (0.51) EGFRPIN1MAOBPOLBMAPT
SCHEMBL4173344 0.82 F10 (0.43) EGFRPIN1MAOBF10POLB
SCHEMBL9945498 0.82 PIN1 (0.49) EGFRPIN1F10MAPTALDH1A1
SCHEMBL13068257 0.81 POLB (0.47) EGFRPIN1MAOBF10POLB

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-9867824-B2 Heterocyclic compounds 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-9868723-B2 Mutant-selective EGFR inhibitors 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 1/4885PIN1 356/4885MAOB 3214/4885
US-10434101-B2 Heterocyclic compounds and uses thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PIN1 90/4885MAOB 82/4885
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PIN1 90/4885MAOB 82/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PIN1 90/4885MAOB 82/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PIN1 90/4885MAOB 82/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PIN1 90/4885MAOB 82/4885
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 EGFR 1/4885PIN1 356/4885MAOB 3214/4885
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 EGFR 1/4885PIN1 356/4885MAOB 3214/4885

“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.