SCHEMBL6744820

SCHEMBL6744820

CN(C(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.49
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
GSK3B P49841 1/20 0.42
SRC P12931 2/20 0.42
BRAF P15056 2/20 0.42
KDR P35968 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.40
CSNK1D P48730 3/20 0.39
CSNK1E P49674 3/20 0.39
CSNK1A1 P48729 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 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
SCHEMBL6741370 0.87 MAPK14 (0.42) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6029234 0.83 MAPK14 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4336951 0.80 MAPK14 (0.52) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL7134706 0.80 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6027917 0.77 TACR1 (0.58) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6179866 0.76 MAPK14 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028852 0.76 MAPK14 (0.50) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6029439 0.76 SMN1; SMN2 (0.48) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028838 0.76 TACR1 (0.59) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL7777699 0.75 KMT2A (0.47) MAPK14ADORA3ADORA1

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.