SCHEMBL4287582

SCHEMBL4287582

CC(C)NC(=O)c1n[nH]cc1NC(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 3/20 0.45

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
SCHEMBL4284549 0.87 NPC1 (0.50) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL4284371 0.87 HDAC1 (0.52) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL4287382 0.84 NPC1 (0.50) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL5268233 0.84 ALDH1A1 (0.47) KDM4EALDH1A1NPC1RAB9AHDAC1
SCHEMBL4288627 0.83 MAPT (0.45) KDM4EALDH1A1NPC1RAB9AHDAC1
SCHEMBL4287390 0.83 KDR (0.56) KDM4ENPC1RAB9AHDAC1HDAC3
SCHEMBL5267481 0.83 MDM4 (0.49) ALDH1A1HTTNPC1RAB9AHDAC1
SCHEMBL4284474 0.83 GRM4 (0.47) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL4281573 0.81 L3MBTL1 (0.49) KDM4EALDH1A1HTTSMN1; SMN2GRM4
SCHEMBL4279805 0.81 MAPT (0.44) KDM4EALDH1A1HTTNPC1RAB9A

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 KDM4E 810/4885ALDH1A1 694/4885HTT 4201/4885

“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.