SCHEMBL2931110

SCHEMBL2931110

O=C(O)c1ccc2oc(Nc3ccccc3C(F)(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.53
AURKA O14965 1/20 0.47
KCNH2 Q12809 2/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IL6 P05231 1/20 0.41
STAT3 P40763 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL31430548 0.80 HDAC6 (0.62) HDAC6KCNH2MEN1GAAKMT2A
SCHEMBL13086050 0.77 MAOB (0.48) HDAC6NPC1RAB9ASMN1; SMN2IL6
SCHEMBL27756459 0.77 HDAC6 (0.49) HDAC6KCNH2MEN1GAAKMT2A
SCHEMBL439113 0.77 UTRN (0.54) HDAC6
SCHEMBL31430456 0.76 HDAC6 (0.54) HDAC6KCNH2MEN1GAAKMT2A
SCHEMBL1964565 0.74 AKR1C3 (0.51) HDAC6AURKAAKR1C3AKR1C2GAA
SCHEMBL2895589 0.73 RAF1 (0.79) RAF1BRAF
SCHEMBL4684542 0.72 C1R (0.54) HDAC6NPC1RAB9APOLBTP53
SCHEMBL31430584 0.72 NPC1 (0.56) HDAC6MEN1GAAKMT2ANPC1
SCHEMBL28379205 0.72 HDAC6 (0.78) HDAC6MEN1GAAKMT2ANPC1

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 8 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
CN-101379060-B Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC 2012-05-23 CN 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
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP 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 HDAC6 251/4885AURKA 2/4885KCNH2 1911/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HDAC6 251/4885AURKA 2/4885KCNH2 1911/4885

“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.