SCHEMBL4285291

SCHEMBL4285291

COC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 1/20 0.41
CFTR P13569 1/20 0.41
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
KCNN4 O15554 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 2/20 0.37

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
SCHEMBL28916204 0.85 KDM4E (0.42) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4289310 0.84 ALDH1A1 (0.37) MAPTKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL28916239 0.83 MAPT (0.43) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3846829 0.83 GAA (0.44) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4284526 0.80 KDM4E (0.42) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17966676 0.79 NPSR1 (0.39) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5353528 0.78 MAPT (0.43) MAPTKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL5359650 0.76 MAPT (0.41) MAPTKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL20023755 0.75 GAA (0.61) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3848554 0.75 LIPE (0.37) TP53MAPTKDM4ESMN1; SMN2ALDH1A1

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP TP53 392/4885MAPT 868/4885KDM4E 810/4885

“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.