SCHEMBL14633686

SCHEMBL14633686

CCN(c1ccnc(Nc2cc(C)cc(S(C)(=O)=O)c2)n1)c1n[nH]c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 7/20 0.43
RIPK2 O43353 3/20 0.43
SYK P43405 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDR P35968 1/20 0.38
PAK1 Q13153 1/20 0.36
GAK O14976 1/20 0.36
LCK P06239 1/20 0.36
TGFBR1 P36897 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK14 Q16539 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
IDH1 O75874 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
NTRK1 P04629 2/20 0.34

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
SCHEMBL14633711 0.90 EPHB4 (0.50) EPHB4RIPK2SYKCYP3A4CYP2D6
SCHEMBL14634115 0.81 EPHB4 (0.54) EPHB4SYKCYP3A4CYP2D6CYP2C9
SCHEMBL2515028 0.80 EPHB4 (0.49) EPHB4SYKCYP3A4CYP2D6CYP2C9
SCHEMBL14633927 0.80 EPHB4 (0.49) EPHB4RIPK2CYP3A4CYP2D6CYP2C9
SCHEMBL14633630 0.79 EPHB4 (0.48) EPHB4SYKCYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL14634065 0.79 EPHB4 (0.47) EPHB4SYKCYP3A4CYP2D6CYP2C9
SCHEMBL14633693 0.78 EPHB4 (0.48) EPHB4SYKCYP3A4CYP2D6CYP2C9
SCHEMBL12325156 0.75 HRH4 (0.38) RIPK2HRH4NTRK1
SCHEMBL14634054 0.75 EPHB4 (0.51) EPHB4SYKCYP3A4CYP2D6CYP2C9
SCHEMBL2471505 0.75 RIPK2 (0.42) EPHB4RIPK2SYKNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 EPHB4 2462/4885RIPK2 443/4885SYK 409/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 EPHB4 1932/4885RIPK2 432/4885SYK 449/4885

“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.