SCHEMBL12724890

SCHEMBL12724890

Cc1ccc2[nH]c(NC(C)(C)C)nc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.44
EGLN1 Q9GZT9 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.38
OPRM1 P35372 1/20 0.37
IDH2 P48735 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 6/20 0.33
RPS6KA3 P51812 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 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
SCHEMBL16342366 0.81 CBFB (0.45) CBFBEGLN1ADAMTS5OPRM1IDH2
SCHEMBL11784591 0.79 CBFB (0.44) CBFBEGLN1ADAMTS5OPRM1IDH2
SCHEMBL6985345 0.74 CBFB (0.40) CBFBEGLN1ADAMTS5OPRM1IDH2
SCHEMBL353026 0.74 CBFB (0.51) CBFBEGLN1ADAMTS5OPRM1NPC1
Hydrochloric Acid SCHEMBL11784418 0.73 EGLN1 (0.40) CBFBEGLN1ADAMTS5OPRM1IDH2
SCHEMBL8013154 0.73 CBFB (0.47) CBFBEGLN1ADAMTS5OPRM1NPC1
SCHEMBL12724899 0.71 ADORA2A (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1192237 0.71 NPC1 (0.50) CBFBEGLN1ADAMTS5OPRM1NPC1
SCHEMBL2541920 0.71 CBFB (0.49) CBFBEGLN1ADAMTS5RPS6KA3KDM4E
SCHEMBL4386791 0.71 CBFB (0.49) CBFBEGLN1ADAMTS5OPRM1NPC1

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-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC CBFB 2278/4885EGLN1 3957/4885ADAMTS5 3654/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC CBFB 916/4885EGLN1 3441/4885ADAMTS5 4424/4885

“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.