SCHEMBL2930141

SCHEMBL2930141

COC(=O)c1ccc2[nH]c(Nc3ccccc3C(C)C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
LMNA P02545 6/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPK1 P28482 1/20 0.41
KLF5 Q13887 1/20 0.41
KIF11 P52732 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
SCHEMBL2927773 0.89 AKR1C3 (0.51) RAB9ANPC1LMNAMAPTTP53
SCHEMBL2931480 0.80 AKR1C3 (0.51) RAB9ALMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL14693663 0.78 GAA (0.61) RAB9ANPC1LMNAMAPTTP53
SCHEMBL2932397 0.77 SMN1; SMN2 (0.59) RAB9ANPC1LMNAMAPTTP53
SCHEMBL2671396 0.77 KDM4E (0.49) RAB9ANPC1LMNAMAPTTP53
SCHEMBL2933172 0.76 RIPK1 (0.53) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL2759988 0.76 KDM4E (0.48) RAB9ANPC1LMNAMAPTTP53
SCHEMBL407841 0.76 KDM4E (0.48) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL2929260 0.76 SMN1; SMN2 (0.46) RAB9ANPC1LMNAMAPTTP53
SCHEMBL24996196 0.75 MMP2 (0.38) RAB9ANPC1LMNAMAPTTP53

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 RAB9A 3858/4885NPC1 653/4885LMNA 1520/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAB9A 3858/4885NPC1 653/4885LMNA 1520/4885

“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.