SCHEMBL2930367

SCHEMBL2930367

CCc1ccccc1Nc1nc2ccc(C(=O)OC)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ABL1 P00519 2/20 0.50
KDR P35968 2/20 0.50
ABCC4 O15439 1/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
RAF1 P04049 4/20 0.48
BRAF P15056 4/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 2/20 0.46

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
SCHEMBL2929624 0.88 ALDH1A1 (0.54) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL3871413 0.82 HDAC6 (0.60) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL2930184 0.81 AKR1C3 (0.49) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL2932936 0.79 AKR1C3 (0.47) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL2926215 0.79 RAB9A (0.54) MAPTTP53ALDH1A1LMNAHTT
SCHEMBL2933582 0.77 POLB (0.55) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL14347066 0.76 ALDH1A1 (0.61) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL2927341 0.76 LMNA (0.65) MAPTTP53ALDH1A1LMNAHTT
SCHEMBL2928155 0.75 AKR1C3 (0.53) ALDH1A1LMNAHTTABL1KDR
SCHEMBL13085956 0.75 CHEK1 (0.46) MAPTTP53HDAC6

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 MAPT 1464/4885TP53 69/4885ALDH1A1 3036/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAPT 1464/4885TP53 69/4885ALDH1A1 3036/4885

“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.