SCHEMBL4490782

SCHEMBL4490782

CCc1c(C#Cc2ccccn2)[nH]c(C=O)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ERN1 O75460 1/20 0.37
NR4A2 P43354 1/20 0.36
IGF1R P08069 1/20 0.35
FFAR1 O14842 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4489148 0.83 ALDH1A1 (0.46) RAB9AALDH1A1NR4A2IGF1R
SCHEMBL4485722 0.80 ALDH1A1 (0.40) RAB9AALDH1A1NR4A2IGF1RFFAR1
SCHEMBL13933294 0.78 ALDH1A1 (0.43) RAB9AALDH1A1ERN1NR4A2IGF1R
SCHEMBL4481374 0.76 ALDH1A1 (0.41) RAB9AALDH1A1NR4A2IGF1R
SCHEMBL4490766 0.75 IGF1R (0.39) RAB9AALDH1A1IGF1R
SCHEMBL4482893 0.75 IGF1R (0.40) RAB9AALDH1A1IGF1R
SCHEMBL4491721 0.75 IGF1R (0.45) RAB9AALDH1A1IGF1R
SCHEMBL4490389 0.74 IGF1R (0.44) RAB9AALDH1A1IGF1R
SCHEMBL4487447 0.73 ALDH1A1 (0.39) RAB9AALDH1A1
SCHEMBL4492328 0.73 IGF1R (0.37) RAB9AALDH1A1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP claimed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US claimed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP claimed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO claimed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 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 (1 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-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 GRM5 739/4885RAB9A 2642/4885ALDH1A1 2755/4885

“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.