SCHEMBL2931477

SCHEMBL2931477

c1csc(Nc2nc3ccc(N4CCOCC4)cc3[nH]2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.51
KCNH2 Q12809 3/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
SYK P43405 1/20 0.48
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
FGFR1 P11362 3/20 0.43
FLT1 P17948 3/20 0.43
PIK3CA P42336 2/20 0.43
STAT3 P40763 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL899406 0.77 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1SYKPIK3CA
SCHEMBL2924524 0.76 PIK3CA (0.49) CBFBKCNH2PDE3BPDE3AFGFR1
SCHEMBL2926779 0.73 KDM1A (0.56) CBFBKCNH2PDE3BPDE3AFGFR1
SCHEMBL2925776 0.72 CBFB (0.49) CBFBKCNH2PDE3BPDE3AFGFR1
SCHEMBL12109508 0.70 CBFB (0.57) CBFBPDE3BPDE3AFGFR1FLT1
SCHEMBL30855003 0.69 MAPT (0.56) CYP1A1CYP1A2CYP1B1SYKNPC1
SCHEMBL5028123 0.68 P2RY1 (0.59) CBFBPDE10A
SCHEMBL23123573 0.68 CBFB (0.55) CBFBPDE3BPDE3AFGFR1FLT1
SCHEMBL23123107 0.67 CBFB (0.54) CBFBPDE3BPDE3AFGFR1FLT1
SCHEMBL15545775 0.67 CYP1A2 (0.57) CYP1A1CYP1A2CYP1B1SYKNPC1

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 CBFB 2329/4885KCNH2 1911/4885CYP1A1 2931/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB CBFB 2329/4885KCNH2 1911/4885CYP1A1 2931/4885

“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.