SCHEMBL10312225

SCHEMBL10312225

O=C1CN(c2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(Nc3cc(C4CC4)[nH]n3)n2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
IGF1R P08069 1/20 0.40
IDH2 P48735 8/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PAK4 O96013 3/20 0.36
PAK1 Q13153 3/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL10312092 0.90 HRH4 (0.39) HRH4IGF1RPAK4PAK1
SCHEMBL10312106 0.89 PAK4 (0.41) HRH4CCNA2CDK2CCNA1IGF1R
SCHEMBL10312080 0.89 IDH2 (0.51) HRH4CCNA2CDK2CCNA1IGF1R
SCHEMBL10312179 0.89 HRH4 (0.45) HRH4IDH2APPPAK4PAK1
SCHEMBL10312180 0.88 HRH4 (0.48) HRH4CCNA2CDK2CCNA1IGF1R
SCHEMBL10312125 0.87 HRH4 (0.44) HRH4IDH2APPPAK4PAK1
SCHEMBL10312184 0.85 USP2 (0.46) HRH4CCNA2CDK2CCNA1IGF1R
SCHEMBL10312076 0.85 HRH4 (0.59) HRH4CCNA2CDK2CCNA1IGF1R
SCHEMBL10312174 0.85 HRH4 (0.46) HRH4CCNA2CDK2CCNA1IGF1R
SCHEMBL10312233 0.83 HRH4 (0.56) HRH4CCNA2CDK2CCNA1IGF1R

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 2393/4885CCNA2 1229/4885CDK2 225/4885

“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.