SCHEMBL3487972

SCHEMBL3487972

CSCCn1ncc(Br)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
MAPK13 O15264 6/20 0.41
MAPK12 P53778 6/20 0.41
MAPK11 Q15759 6/20 0.41
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 1/20 0.34
PPARG P37231 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
RAB9A P51151 1/20 0.34
NCOA2 Q15596 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 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
SCHEMBL3490180 0.81 MAPK14 (0.39) MAPK14ALDH1A1HPGDHTTNPC1
SCHEMBL1554402 0.80 TSHR (0.44) MAPK14ALDH1A1HPGDHTTNPC1
SCHEMBL1555207 0.80 MAPK14 (0.40) MAPK14ALDH1A1HPGDHTTNPC1
SCHEMBL1555097 0.77 S1PR1 (0.44) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3488492 0.76 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3488671 0.75 NR1H2 (0.35) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3489027 0.75 HTR2A (0.45) MAPK14HTR2AHTR2CPTGS2GAA
SCHEMBL3488999 0.75 NPSR1 (0.36) ALDH1A1HPGDHTTNPC1S1PR4
SCHEMBL3488724 0.74 ALDH1A1 (0.52) MAPK14ALDH1A1HPGDHTTNPC1
SCHEMBL3489017 0.74 S1PR1 (0.37) ALDH1A1HPGDHTTNPC1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 MAPK14 646/4885MAPK13 334/4885MAPK12 521/4885

“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.