SCHEMBL2925776

SCHEMBL2925776

CC(C)c1ccccc1Nc1nc2ccc(N3CCOCC3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.49
STAT3 P40763 1/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47
KCNH2 Q12809 2/20 0.45
PIK3CA P42336 3/20 0.43
PIK3CD O00329 3/20 0.43
MTOR P42345 3/20 0.43
PIK3CB P42338 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL14693616 0.81 PIK3CA (0.45) GAAMAPTTDP1PIK3CAPIK3CD
SCHEMBL2931962 0.77 GAA (0.50) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL14693663 0.76 GAA (0.61) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2926779 0.76 KDM1A (0.56) CBFBSTAT3MAPK1NPC1GAA
SCHEMBL2924524 0.74 PIK3CA (0.49) CBFBSTAT3MAPK1NPC1GAA
SCHEMBL5028123 0.74 P2RY1 (0.59) CBFB
SCHEMBL2931480 0.73 AKR1C3 (0.51) MAPK1RAB9ASMN1; SMN2TDP1PIK3CA
SCHEMBL2932290 0.73 MAPT (0.47) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2931477 0.72 CBFB (0.51) CBFBSTAT3MAPK1NPC1GAA
SCHEMBL12109508 0.71 CBFB (0.57) CBFBSTAT3MAPK1NPC1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2329/4885STAT3 1614/4885MAPK1 1145/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB CBFB 2329/4885STAT3 1614/4885MAPK1 1145/4885

“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.