SCHEMBL4288796

SCHEMBL4288796

COc1ccc(C(=O)Nc2c[nH]nc2C(=O)NCCC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
GAA P10253 2/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL4294905 0.89 NPC1 (0.42) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4287235 0.89 MEN1 (0.52) NPC1RAB9ASMN1; SMN2GAAGPR35
SCHEMBL4283198 0.86 SMN1; SMN2 (0.40) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL4287676 0.85 KDM4E (0.42) HPGDGPR35ALDH1A1KMT2AHDAC1
SCHEMBL4285709 0.83 GSK3B (0.48) ALOX15ALDH1A1KMT2AHDAC1HDAC6
SCHEMBL5268235 0.82 SMN1; SMN2 (0.63) F10NPC1RAB9ASMN1; SMN2GAA
SCHEMBL4288238 0.81 KMT2A (0.47) NPC1RAB9ASMN1; SMN2GAAGPR35
SCHEMBL4285079 0.81 CREBBP (0.42) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL4288272 0.80 PTK2 (0.41) RAB9AHDAC3HDAC1
SCHEMBL5270615 0.80 PLK1 (0.58) F10NPC1RAB9AHPGDSMN1; SMN2

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 F10 3488/4885NPC1 1266/4885RAB9A 291/4885

“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.