SCHEMBL10312102

SCHEMBL10312102

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(F)c3)nc(NC(C)c3ccncc3)n2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 10/20 0.39
AURKA O14965 3/20 0.37
NTRK1 P04629 7/20 0.35
CHEK1 O14757 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
CAMK2D Q13557 1/20 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
SCHEMBL10312137 0.90 GRK6 (0.36) GRK6AURKANTRK1
SCHEMBL10312218 0.90 NTRK1 (0.44) GRK6AURKANTRK1CHEK1JAK2
SCHEMBL10312096 0.89 MELK (0.34) GRK6AURKA
SCHEMBL10312097 0.86 NTRK1 (0.53) NTRK1JAK2JAK3
SCHEMBL10312205 0.85 KCNH3 (0.40) GRK6AURKANTRK1CHEK1CDK1
SCHEMBL10312198 0.79 IGF1R (0.42)
SCHEMBL10312203 0.79 FLT3 (0.38) AURKANTRK1CHEK1CDK1CDK4
SCHEMBL10312103 0.79 HRH4 (0.47) AURKANTRK1CHEK1CDK1CDK4
SCHEMBL10312197 0.79 NTRK1 (0.42) GRK6AURKANTRK1CHEK1JAK2
SCHEMBL10312078 0.79 DHODH (0.41) GRK6AURKANTRK1CHEK1JAK2

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 GRK6 101/4885AURKA 793/4885NTRK1 482/4885

“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.