SCHEMBL2059685

SCHEMBL2059685

COc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
FLT1 P17948 4/20 1.00
FLT4 P35916 4/20 1.00
BMP4 P12644 4/20 1.00
BMPR1B O00238 2/20 0.70
BMPR1A P36894 2/20 0.70
ACVRL1 P37023 2/20 0.70
TGFBR2 P37173 2/20 0.70
ACVR1 Q04771 2/20 0.70
PRKAB1 Q9Y478 2/20 0.70
BMPR2 Q13873 1/20 0.70
KMT2A Q03164 1/20 0.65
PLK4 O00444 1/20 0.64
AURKA O14965 1/20 0.64
DYRK3 O43781 1/20 0.64
MAP4K4 O95819 1/20 0.64
NTRK1 P04629 1/20 0.64
INSR P06213 1/20 0.64
CDK1 P06493 1/20 0.64
FGFR1 P11362 1/20 0.64

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
SCHEMBL7610618 0.88 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL7610653 0.86 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL7618989 0.85 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL3003967 0.84 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL13126019 0.83 KDR (0.76) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL7616707 0.82 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL7616736 0.82 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL27218304 0.82 KDR (1.00) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL7610636 0.82 KDR (1.00) KDRFLT1FLT4BMP4ACVR1
SCHEMBL15996325 0.81 KDR (0.76) KDRFLT1FLT4BMP4BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US claimed
US-6235741-B1 ANTICANCER AGENTS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-05-22 US claimed
EP-0984692-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-02-21 EP claimed
EP-0984692-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-03-15 EP claimed
WO-1998054093-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20220401445-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. 2022-12-22 US disclosed
US-11318103-B2 Treating soft tissue via controlled drug release University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-05-03 US disclosed
US-20190142758-A1 TREATING SOFT TISSUE VIA CONTROLLED DRUG RELEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-05-16 US disclosed
US-10179111-B2 Treating soft tissue via controlled drug release University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-15 US disclosed
US-20170014349-A1 TREATING SOFT TISSUE VIA CONTROLLED DRUG RELEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-19 US disclosed
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-03-03 US disclosed
WO-2009114180-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2009-09-17 WO disclosed
US-6380203-B1 PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVES; TREATMENT OF TYROSINE KINASE-DEPENDENT DISEASES/CONDITIONS SUCH AS ANGIOGENESIS, CANCER, ATHEROSCLEROSIS, DIABETIC RETINOPATHY OR AUTOIMMUNE DISEASES MERCK & CO., INC. 2002-04-30 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-6235741-B1 ANTICANCER AGENTS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-05-22 US disclosed
EP-0984692-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-02-21 EP disclosed
EP-0984692-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-03-15 EP disclosed
WO-1998054093-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1998-12-03 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 (9 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-20220401445-A1 METHODS OF USING ALK2 INHIBITORS ALK, ACVR2A, ACVR1 KDR 46/4885FLT1 165/4885FLT4 192/4885
US-10179111-B2 Treating soft tissue via controlled drug release BMP2, BMP1, BMP6 KDR 203/4885FLT1 324/4885FLT4 542/4885
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 KDR 260/4885FLT1 162/4885FLT4 129/4885
US-20170014349-A1 TREATING SOFT TISSUE VIA CONTROLLED DRUG RELEASE BMP2, BMP1, BMP6 KDR 203/4885FLT1 324/4885FLT4 542/4885
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE BMPR2, BMP1, BMP2 KDR 138/4885FLT1 193/4885FLT4 203/4885
US-11318103-B2 Treating soft tissue via controlled drug release BMP2, BMP1, BMP6 KDR 203/4885FLT1 324/4885FLT4 542/4885
US-20190142758-A1 TREATING SOFT TISSUE VIA CONTROLLED DRUG RELEASE BMP2, BMP1, BMP6 KDR 203/4885FLT1 324/4885FLT4 542/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 KDR 318/4885FLT1 118/4885FLT4 58/4885
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA HAMP, BMPR2, BMP2 KDR 1564/4885FLT1 818/4885FLT4 1345/4885

“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.