SCHEMBL6741370

SCHEMBL6741370

CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)N(C)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
GSK3B P49841 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL6744820 0.87 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6029308 0.85 TACR1 (0.41) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6029008 0.82 SMN1; SMN2 (0.44) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4340894 0.82 MAPK14 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6177631 0.81 MAPK14 (0.42) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4336708 0.79 SMN1; SMN2 (0.48) MAPK14SRCBRAFKDRSMN1; SMN2
SCHEMBL6029490 0.78 SMN1; SMN2 (0.47) MAPK14SMN1; SMN2
SCHEMBL6028798 0.74 MAPK1 (0.49) MAPK14GSK3BSRCBRAFKDR
SCHEMBL6028830 0.74 MAPK14 (0.46) MAPK14SRCBRAFKDRPTGDR2
SCHEMBL4336706 0.74 MAPK14 (0.43) MAPK14EGFRRAF1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087628-A1 Substituted pyrazole compounds MINAMI NOBUYOSHI (JP) 2004-05-06 US disclosed
EP-1188754-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-03-20 EP 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-20040087628-A1 Substituted pyrazole compounds CNKSR1, MAPK1, IRAK1 MAPK14 64/4885EGFR 2397/4885RAF1 10/4885

“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.