SCHEMBL10312226

SCHEMBL10312226

OCCN1CCN(c2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(Nc3cc(C4CC4)[nH]n3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
IGF1R P08069 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
IDH2 P48735 11/20 0.40
PAK4 O96013 1/20 0.37
PAK1 Q13153 1/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10312076 0.91 HRH4 (0.59) HRH4IGF1RCCNA2CDK2CCNA1
SCHEMBL10312091 0.90 HRH4 (0.45) HRH4IGF1RPAK4PAK1
SCHEMBL10312180 0.90 HRH4 (0.48) HRH4IGF1RCCNA2CDK2CCNA1
SCHEMBL10312117 0.88 HRH4 (0.45) HRH4IGF1RCCNA2CDK2CCNA1
SCHEMBL10312183 0.88 HRH4 (0.51) HRH4IDH2PAK4PAK1MAPT
SCHEMBL10312080 0.88 IDH2 (0.51) HRH4IGF1RCCNA2CDK2CCNA1
SCHEMBL10312233 0.88 HRH4 (0.56) HRH4IGF1RCCNA2CDK2CCNA1
SCHEMBL10312184 0.88 USP2 (0.46) HRH4IGF1RCCNA2CDK2CCNA1
SCHEMBL10312124 0.87 HRH4 (0.50) HRH4IDH2PAK4PAK1APP
SCHEMBL10312174 0.87 HRH4 (0.46) HRH4IGF1RCCNA2CDK2CCNA1

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-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 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-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 HRH4 2393/4885IGF1R 1148/4885CCNA2 1229/4885

“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.