SCHEMBL4281575

SCHEMBL4281575

O=C(Nc1c[nH]nc1C(=O)NCCc1ccccc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.46
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL4283208 0.93 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4279948 0.91 KMT2A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4292387 0.91 HTT (0.54) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL5268713 0.89 KMT2A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4293270 0.88 KDR (0.53) ALDH1A1KMT2AKDM4EMAPTHTT
SCHEMBL4279961 0.87 KMT2A (0.51) SMN1; SMN2ALDH1A1KMT2AKDM4EEPHX2
SCHEMBL4281447 0.86 TSHR (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5268958 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4286948 0.85 KMT2A (0.50) SMN1; SMN2ALDH1A1KMT2AMAPTEPHX2
SCHEMBL4279912 0.85 KMT2A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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 RAB9A 291/4885NPC1 1266/4885SMN1; SMN2 4064/4885

“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.