SCHEMBL3033844

SCHEMBL3033844

O=C(O)c1cc2ccncc2n1Cc1ccc(I)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.40
NTRK1 P04629 1/20 0.38
CCR9 P51686 3/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
GPR35 Q9HC97 1/20 0.35
ECE1 P42892 1/20 0.35
BUB1 O43683 1/20 0.34
MAPT P10636 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL3024131 0.89 ECE1 (0.34) ECE1BUB1MAPTAKR1B1
SCHEMBL3024357 0.87 MAPT (0.48) ECE1BUB1MAPT
SCHEMBL3023675 0.85 NOD2 (0.43) MAPT
SCHEMBL3028523 0.84 NTRK1 (0.38) CCR2NTRK1CCR9AGTR1AGTR2
SCHEMBL3034236 0.82 CYP2C9 (0.48)
SCHEMBL3028594 0.80 MAPT (0.37) CCR2AGTR1AGTR2MAPTAKR1B1
SCHEMBL3039673 0.80 MAP2K1 (0.42) NTRK1ECE1MAPT
SCHEMBL12083414 0.79 MAP2K1 (0.50)
SCHEMBL12085726 0.75 KCNH2 (0.40) ECE1MAPT
SCHEMBL12083411 0.75 KCNH2 (0.38)

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 10 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
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-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 US 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
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 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 CCR2 1868/4885NTRK1 983/4885CCR9 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.