SCHEMBL13086197

SCHEMBL13086197

Cc1cc2cn[nH]c2cc1NC(=O)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
DHODH Q02127 1/20 0.38
PTGES O14684 5/20 0.37
SCN9A Q15858 1/20 0.37
TRPV1 Q8NER1 3/20 0.36
TRPA1 O75762 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK6 Q00534 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
BACE1 P56817 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2931452 0.89 PTGES (0.39) RAF1BRAFDHODHPTGESTRPV1
SCHEMBL13086187 0.88 TRPV1 (0.45) IRAK4RAF1BRAFPTGESTRPV1
SCHEMBL13085977 0.82 TRPV1 (0.46) RAF1BRAFPTGESTRPV1
SCHEMBL2926164 0.81 RAF1 (0.44) IRAK4RAF1BRAFSCN9AALDH1A1
SCHEMBL5133964 0.81 TRPV1 (0.45) RAF1BRAFPTGESTRPV1
SCHEMBL13086185 0.81 TRPV1 (0.45) PTGESTRPV1
SCHEMBL13085979 0.80 TRPV1 (0.44) RAF1BRAFPTGESTRPV1
SCHEMBL2924892 0.80 PTGES (0.45) RAF1BRAFPTGESTRPV1
SCHEMBL2926237 0.79 ALDH1A1 (0.45) IRAK4RAF1BRAFDHODHPTGES
SCHEMBL2932419 0.79 TRPV1 (0.42) PTGESTRPV1

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
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB IRAK4 913/4885RAF1 427/4885BRAF 351/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB IRAK4 913/4885RAF1 427/4885BRAF 351/4885

“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.