SCHEMBL3028523

SCHEMBL3028523

C#Cc1ccc(Cn2c(C(=O)O)cc3ccncc32)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
CCR2 P41597 7/20 0.38
CCR9 P51686 3/20 0.37
PTAFR P25105 1/20 0.37
BUB1 O43683 1/20 0.36
RORC P51449 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
ECE1 P42892 1/20 0.34
GPR35 Q9HC97 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
SCHEMBL3033844 0.84 CCR2 (0.40) NTRK1CCR2CCR9BUB1AGTR1
SCHEMBL12083474 0.80 MAP2K1 (0.42) NTRK1BUB1ECE1
SCHEMBL3024131 0.73 ECE1 (0.34) PTAFRBUB1ECE1
SCHEMBL4392976 0.72 CCR2 (0.53) CCR2CCR9GPR35
SCHEMBL3024357 0.72 MAPT (0.48) BUB1ECE1
SCHEMBL12085751 0.71 GPR35 (0.55) NTRK1CCR2CCR9GPR35
SCHEMBL3023675 0.70 NOD2 (0.43)
SCHEMBL2948573 0.68 CCR2 (0.45) CCR2CCR9ECE1GPR35
SCHEMBL3034236 0.68 CYP2C9 (0.48)
SCHEMBL12083390 0.66 ECE1 (0.36) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164850-B1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH INC (US) 2016-01-13 EP disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 US disclosed
EP-2164850-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE Genetech, Inc. (US) 2010-03-24 EP disclosed
WO-2008157179-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. (US) 2008-12-24 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-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE MKI67, CCNI, CDKN1A NTRK1 983/4885CCR2 1868/4885CCR9 2664/4885

“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.