SCHEMBL2926403

SCHEMBL2926403

CC(C)n1ccnc1Nc1nc2cc(C(=O)O)c(N3CCOCC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.41
EGLN1 Q9GZT9 1/20 0.38
MTOR P42345 6/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CB P42338 2/20 0.38
TBK1 Q9UHD2 6/20 0.38
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
PKM P14618 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3CG P48736 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2932279 0.90 KCNH2 (0.37) MTORPIK3CDPIK3CBTBK1
SCHEMBL2927230 0.83 PIK3CA (0.39) PIK3CAEGLN1MTORPIK3CDPIK3CB
SCHEMBL2935297 0.81 KCNH2 (0.35) EGLN1MTORPIK3CDPIK3CBTBK1
SCHEMBL2930795 0.80 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBTBK1
SCHEMBL2931516 0.79 KCNH2 (0.39) PIK3CAEGLN1MTORPIK3CDPIK3CB
SCHEMBL14693616 0.78 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3CBPKM
SCHEMBL2924534 0.78 KCNH2 (0.35) EGLN1MTORPIK3CDPIK3CBTBK1
SCHEMBL14693584 0.77 PIK3CA (0.48) PIK3CAEGLN1MTORPIK3CDPIK3CB
SCHEMBL2930096 0.77 TBK1 (0.35) TBK1
SCHEMBL2925852 0.76 DRD3 (0.37) MTORPIK3CDPIK3CB

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 21/4885EGLN1 2296/4885MTOR 533/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PIK3CA 21/4885EGLN1 2296/4885MTOR 533/4885

“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.