SCHEMBL12369691

SCHEMBL12369691

CCn1cc(-c2ccc(C)nc2N)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.45
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
KDM4E B2RXH2 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
METTL3 Q86U44 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
ALOX5 P09917 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
HDAC1 Q13547 3/20 0.32

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
SCHEMBL12395795 0.88 IRAK4 (0.37) RETHSP90AA1HSP90AB1METTL3ALOX5
SCHEMBL12369679 0.88 RET (0.47) RETCCNKCDK12KDM4EKDM5C
SCHEMBL12396045 0.78 RET (0.39) RETCCNKCDK12HSP90AA1HSP90AB1
SCHEMBL12369667 0.76 CCNK (0.49) RETCCNKCDK12KDM4EKDM5C
SCHEMBL16631904 0.74 RET (0.43) RETCCNKCDK12KDM4EKDM5C
SCHEMBL17055766 0.73 CCR1 (0.53) RETCCNKCDK12KDM4EKDM5C
SCHEMBL12369689 0.73 LRRK2 (0.54) KDM4EATRLRRK2
SCHEMBL22868021 0.71 HDAC8 (0.53) RETCCNKCDK12KDM4EKDM5C
SCHEMBL18080375 0.71 RET (0.41) RETCCNKCDK12KDM4EKDM5C
SCHEMBL12369694 0.70 RECQL (0.33) RECQLLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 RET 1915/4885CCNK 3214/4885CDK12 1477/4885

“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.