SCHEMBL4878604

SCHEMBL4878604

Nc1cccc2c1ccn2-c1ccc(F)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ROCK1 Q13464 3/20 0.33
CCR1 P32246 1/20 0.33
CYP19A1 P11511 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4880774 0.81 ALDH1A1 (0.44) MAPTROCK1CYP19A1ALDH1A1CYP3A4
SCHEMBL4572945 0.77 MKNK1 (0.47) MAPTCYP11B1CYP11B2CCR1MKNK1
SCHEMBL16812370 0.73 TYK2 (0.38) MAPTCYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL30684282 0.72 ROCK1 (0.34) MAPTROCK1MKNK1MKNK2ALDH1A1
SCHEMBL29961184 0.71 RPS6KA5 (0.53) MAPTROCK1MKNK1MKNK2ALDH1A1
SCHEMBL3300423 0.71 RPS6KA5 (0.53) MAPTROCK1MKNK1MKNK2ALDH1A1
SCHEMBL15910764 0.71 SYK (0.41) MAPT
SCHEMBL27252424 0.65 F10 (0.40) MAPTCHRNB2CHRNA4
SCHEMBL28083489 0.64 CYP3A4 (0.44) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL8666821 0.64 RECQL (0.54) MAPTALDH1A1CYP3A4HPGDTDP1

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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-09-18 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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES MAPT 2918/4885CYP11B1 55/4885CYP11B2 40/4885

“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.