SCHEMBL1013437

SCHEMBL1013437

CC(C)(C#N)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 3/20 0.42
CASP1 P29466 2/20 0.42
RECQL P46063 1/20 0.42
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
BRAF P15056 6/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL1592771 0.85 JAK2 (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL4617227 0.83 ALDH1A1 (0.57) TSHRCYP3A4ALDH1A1CA2TDP1
SCHEMBL10183753 0.79 HDAC4 (0.42) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL23113646 0.79 CYP19A1 (0.41) TSHRALDH1A1SCN10A
SCHEMBL2442297 0.78 ACHE (0.44) MAPK1CYP3A4JAK2ROCK2PRKCQ
SCHEMBL31476400 0.76 TSHR (0.60) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL125232 0.76 TSHR (0.60) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL29403060 0.76 MAPK1 (0.60) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL111419 0.76 MAPK1 (0.60) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL29374282 0.76 TSHR (0.60) TSHRMAPK1CYP3A4CASP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637463-B2 Tricyclic kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-26 US disclosed
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-20240360132-A9 TRICYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-10-31 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
US-20240101559-A1 TRICYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-03-28 US disclosed
CN-116874465-B Pyrimidine compound and application thereof 英矽智能科技(上海)有限公司 2024-02-09 CN disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
WO-2007119055-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
WO-2007113557-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007113558-A2 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 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 (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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 TSHR 541/4885MAPK1 650/4885CYP3A4 2960/4885
US-12637463-B2 Tricyclic kinase inhibitors and uses thereof CDK1, CDK11A, CDK11B TSHR 267/4885MAPK1 104/4885CYP3A4 1315/4885
US-20240101559-A1 TRICYCLIC KINASE INHIBITORS AND USES THEREOF CDK1, CDK11B, CDK11A TSHR 1822/4885MAPK1 106/4885CYP3A4 538/4885
US-20240360132-A9 TRICYCLIC KINASE INHIBITORS AND USES THEREOF CDK1, CDK11B, CDK11A TSHR 1822/4885MAPK1 106/4885CYP3A4 538/4885
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 TSHR 1872/4885MAPK1 657/4885CYP3A4 108/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 TSHR 3362/4885MAPK1 3874/4885CYP3A4 89/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 TSHR 581/4885MAPK1 507/4885CYP3A4 4503/4885

“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.