SCHEMBL2930795

SCHEMBL2930795

Cc1cccnc1Nc1nc2cc(C(=O)O)c(N3CCOCC3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43
SCN9A Q15858 1/20 0.40
PIK3CD O00329 4/20 0.39
MTOR P42345 3/20 0.39
PIK3C2B O00750 2/20 0.39
PIK3CG P48736 1/20 0.39
PKM P14618 1/20 0.38
USP2 O75604 1/20 0.38
PIK3CB P42338 2/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.37
TBK1 Q9UHD2 1/20 0.37
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2931752 0.93 LMNA (0.39) USP2GAAALDH1A1LMNARAB9A
SCHEMBL2929641 0.90 KCNH2 (0.41) GAALMNARAB9AMEN1NPC1
SCHEMBL2930571 0.90 OPRL1 (0.38) GAAKDM4ELMNATBK1RAB9A
SCHEMBL2931431 0.88 PRKCQ (0.42) GAALMNARAB9AMEN1NPC1
SCHEMBL2926394 0.88 PRKCA (0.38) GAALMNARAB9AMEN1NPC1
SCHEMBL2932302 0.88 F12 (0.38) GAALMNATBK1RAB9AMEN1
SCHEMBL2926403 0.80 PIK3CA (0.41) PIK3CAPIK3CDMTORPIK3C2BPIK3CG
SCHEMBL14693616 0.78 PIK3CA (0.45) PIK3CAPIK3CDMTORPIK3C2BPIK3CG
SCHEMBL2932547 0.78 PIK3CA (0.43) PIK3CAPIK3CDMTORPKMPIK3CB
SCHEMBL2929442 0.78 GAA (0.41) GAAKDM4ELMNARAB9AMEN1

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 4 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US 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 PIK3CA 21/4885SCN9A 4687/4885PIK3CD 59/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PIK3CA 21/4885SCN9A 4687/4885PIK3CD 59/4885

“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.