SCHEMBL12724826

SCHEMBL12724826

Cc1ccc(C(C)(C)C)cc1CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.55
KDM4E B2RXH2 4/20 0.52
RECQL P46063 1/20 0.50
SIGMAR1 Q99720 6/20 0.49
TMEM97 Q5BJF2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 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
SCHEMBL17916107 0.79 KDM4E (0.52) CACNA1BKDM4ERECQLSIGMAR1ALDH1A1
SCHEMBL12852063 0.78 CACNA1B (0.52) CACNA1BKDM4ESIGMAR1ALDH1A1TSHR
SCHEMBL3625897 0.78 CACNA1B (0.64) CACNA1BKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL30596554 0.77 POLB (0.57) CACNA1BKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12772049 0.77 CACNA1B (0.52) CACNA1BKDM4ERECQLSIGMAR1TMEM97
SCHEMBL10104443 0.76 ALDH1A1 (0.47) CACNA1BKDM4ERECQLSIGMAR1TMEM97
SCHEMBL12139509 0.76 MEN1 (0.55) CACNA1BKDM4ESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12139516 0.76 KDM4E (0.62) CACNA1BKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL12139629 0.75 HRH3 (0.50) KDM4ERECQLALDH1A1TSHRSMN1; SMN2
SCHEMBL26007646 0.75 KMT2A (0.58) KDM4EALDH1A1TSHRHTR1DHTR1B

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 CACNA1B 4753/4885KDM4E 728/4885RECQL 84/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC CACNA1B 4222/4885KDM4E 951/4885RECQL 128/4885

“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.