SCHEMBL2931962

SCHEMBL2931962

CC(C)c1ccccc1Nc1nc2ccc(N)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 8/20 0.45
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
GFER P55789 2/20 0.45
HTT P42858 1/20 0.45
RCE1 Q9Y256 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 2/20 0.42
BLM P54132 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL14693663 0.84 GAA (0.61) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2931480 0.81 AKR1C3 (0.51) SMN1; SMN2RAB9AALDH1A1HPGDHTT
SCHEMBL2932290 0.80 MAPT (0.47) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2925776 0.77 CBFB (0.49) GAAMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1663106 0.76 MEN1 (0.68) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2927773 0.73 AKR1C3 (0.51) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL8370565 0.73 L3MBTL1 (0.43) GAAALDH1A1HTTPOLBTDP1
SCHEMBL25749256 0.73 MEN1 (0.54) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2931072 0.72 SMN1; SMN2 (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2933172 0.72 RIPK1 (0.53) GAAMEN1KMT2AMAPTKDM4E

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 6 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-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
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 GAA 1732/4885MEN1 895/4885KMT2A 948/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB GAA 1732/4885MEN1 895/4885KMT2A 948/4885

“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.