SCHEMBL17385160

SCHEMBL17385160

COC(=O)c1cnc(Cl)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.54
▸ CREBBP Q92793 1/20 0.54
▸ MAPT P10636 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CCNK O75909 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.44
▸ EGFR P00533 4/20 0.44
▸ MAPK8 P45983 5/20 0.44
▸ MAPK9 P45984 5/20 0.44
▸ MAPK10 P53779 3/20 0.44
▸ JUN P05412 4/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43

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
SCHEMBL19103245 0.88 EGFR (0.50) NR4A2CREBBPMAPTALPLHTT
SCHEMBL22510105 0.85 RPS6KA5 (0.65) CDK7RPS6KA5MAPK8CDK2
SCHEMBL22994824 0.85 NR4A2 (0.53) NR4A2CREBBPMAPTALPLHTT
SCHEMBL17542563 0.82 CDK7 (0.54) CDK7CCNHMNAT1RPS6KA5EGFR
SCHEMBL30957576 0.82 CDK7 (0.54) CDK7CCNHMNAT1RPS6KA5EGFR
SCHEMBL30108168 0.77 JAK2 (0.55) MAPTHTTCCNKCDK7CCNH
SCHEMBL517438 0.77 JAK2 (0.55) MAPTHTTCCNKCDK7CCNH
SCHEMBL29613520 0.77 RPS6KA5 (0.66) CCNKCDK7CCNHMNAT1CDK12
SCHEMBL517461 0.77 RPS6KA5 (0.66) CCNKCDK7CCNHMNAT1CDK12
SCHEMBL15648351 0.77 CDK2 (0.55) CCNKCDK7CCNHMNAT1CDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159392-B Substituted pyrimidine compound, pharmaceutical composition thereof and application of compound 南京雷正医药科技有限公司 2021-11-23 — — CN disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 — — EP disclosed
CN-112159392-A Substituted pyrimidine compound, pharmaceutical composition thereof and application of compound 南京雷正医药科技有限公司 2021-01-01 — — CN disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 — — EP disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 — — US disclosed
US-10227342-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2019-03-12 — — US disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 — — US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 — — US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 — — US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 — — US disclosed
WO-2015195228-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-12-23 — — 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 (4 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NR4A2 1472/4885CREBBP 1236/4885MAPT 1164/4885
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NR4A2 1472/4885CREBBP 1236/4885MAPT 1164/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 NR4A2 1472/4885CREBBP 1236/4885MAPT 1164/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NR4A2 1472/4885CREBBP 1236/4885MAPT 1164/4885

“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.

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