SCHEMBL12724847

SCHEMBL12724847

Cc1ccc2c(c1)nc(C(C)C)n2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NLRP3 Q96P20 1/20 0.39
NR1I2 O75469 1/20 0.38
EGFR P00533 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4D Q08499 1/20 0.38
TLR8 Q9NR97 1/20 0.37
ATM Q13315 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
NQO2 P16083 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL12205826 0.84 TSHR (0.47) TSHRHSD17B10LMNAKDM4EKMT2A
SCHEMBL15345130 0.82 HSD17B10 (0.42) TSHRHSD17B10LMNAKDM4EKMT2A
SCHEMBL10247331 0.81 TSHR (0.41) TSHRHSD17B10LMNAKMT2AMEN1
SCHEMBL12317672 0.81 KDM4E (0.48) HSD17B10LMNAKDM4EKMT2AMEN1
SCHEMBL1537629 0.79 KDM4E (0.40) TSHRHSD17B10LMNAKDM4EKMT2A
SCHEMBL13071409 0.79 MEN1 (0.45) TSHRHSD17B10LMNAKDM4EKMT2A
SCHEMBL21730494 0.77 NLRP3 (0.57) TSHRLMNAKDM4EKMT2ANLRP3
SCHEMBL10098954 0.77 LMNA (0.66) TSHRHSD17B10LMNAKDM4EKMT2A
SCHEMBL12796754 0.76 KMT2A (0.53) TSHRHSD17B10LMNAKDM4EKMT2A
SCHEMBL13299517 0.76 NLRP3 (0.60) TSHRHSD17B10LMNAKDM4EKMT2A

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 2 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-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 (1 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-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC TSHR 3322/4885HSD17B10 4012/4885LMNA 659/4885

“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.