SCHEMBL12724849

SCHEMBL12724849

Cc1cnc2[nH]c(C(C)(C)C)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
CDK7 P50613 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKAA1 Q13131 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TGFBR1 P36897 1/20 0.32
MTOR P42345 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL21450719 0.81 HTT (0.39) ABL1RETKDRCDK7CDK5
SCHEMBL988470 0.81 L3MBTL1 (0.37) ABL1RETKDRCDK7CDK5
SCHEMBL15746243 0.78 ALDH1A1 (0.33) ABL1RETKDRCDK7CDK5
SCHEMBL14336652 0.78 POLB (0.40) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2KCNH2
SCHEMBL7916579 0.77 CDK5 (0.42) ABL1RETKDRCDK7CDK5
SCHEMBL12724907 0.76 ABL1 (0.37) ABL1RETKDRCDK7CDK5
SCHEMBL984674 0.74 ALDH1A1 (0.56) ABL1KDRCDK7CDK5AURKB
SCHEMBL8239704 0.74 FABP6 (0.44) ABL1RETKDRCDK7CDK5
SCHEMBL15177588 0.73 PDK2 (0.36) L3MBTL1ALDH1A1SMN1; SMN2PDK2PDK4
SCHEMBL5021592 0.73 L3MBTL1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2KCNH2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
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 ABL1 66/4885RET 898/4885KDR 1997/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC ABL1 193/4885RET 1415/4885KDR 1953/4885

“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.