SCHEMBL4288766

SCHEMBL4288766

Cc1ccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCC#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.42
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 4/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
P2RY14 Q15391 2/20 0.35
POLB P06746 1/20 0.35
ADCY1 Q08828 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4289272 0.91 CD274 (0.41) CD274RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4288476 0.91 KMT2A (0.43) CD274RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL4287284 0.90 HPGD (0.42) CD274RAB9AMAPTNPC1LMNA
SCHEMBL4288246 0.90 RORC (0.40) CD274
SCHEMBL4281645 0.90 CD274 (0.41) CD274RAB9ANPC1POLBMEN1
SCHEMBL4285433 0.87 CD274 (0.38) CD274RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL4279713 0.87 CREBBP (0.38) CD274RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL4279659 0.86 SMN1; SMN2 (0.41) CD274RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4282950 0.85 HPGD (0.45) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL4288206 0.85 IRAK4 (0.37) CD274

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 CD274 2230/4885RAB9A 291/4885SMN1; 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.