SCHEMBL3034236

SCHEMBL3034236

O=C(NOCCO)c1cc2ccncc2n1Cc1ccc(I)cc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
MAP2K1 Q02750 16/20 0.47
KCNH2 Q12809 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.42
MAP2K2 P36507 3/20 0.41
MAP2K5 Q13163 1/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40

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
SCHEMBL12083476 0.89 CYP2C9 (0.45) CYP2C9MAP2K1KCNH2CYP2C19CYP3A4
SCHEMBL12083414 0.88 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5
SCHEMBL12083390 0.86 ECE1 (0.36) CYP2C9MAP2K1KCNH2CYP2C19
SCHEMBL3039673 0.86 MAP2K1 (0.42) CYP2C9MAP2K1KCNH2CYP2C19MAP2K2
SCHEMBL12083411 0.86 KCNH2 (0.38) CYP2C9MAP2K1KCNH2CYP2C19
SCHEMBL12083468 0.84 CYP2C9 (0.47) CYP2C9MAP2K1KCNH2CYP2C19CYP3A4
SCHEMBL12083429 0.83 MAP2K1 (0.44) CYP2C9MAP2K1KCNH2CYP2C19CYP3A4
SCHEMBL3024357 0.82 MAPT (0.48)
SCHEMBL3033844 0.82 CCR2 (0.40)
SCHEMBL12083459 0.82 KCNH2 (0.45) CYP2C9MAP2K1KCNH2CYP2C19CYP3A4

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 9 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
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 CYP2C9 3533/4885MAP2K1 24/4885KCNH2 3802/4885

“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.