SCHEMBL4288476

SCHEMBL4288476

COc1ccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCC#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
BCL3 P20749 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
MDM2 Q00987 1/20 0.39
RECQL P46063 1/20 0.38
DRD1 P21728 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL4282950 0.91 HPGD (0.45) KMT2ASMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL4288766 0.91 CD274 (0.42) KMT2ASMN1; SMN2HPGDCD274MAPT
SCHEMBL4289272 0.89 CD274 (0.41) SMN1; SMN2HPGDCD274MAPTALOX12
SCHEMBL4281645 0.88 CD274 (0.41) KMT2ACD274RAB9ANPC1MEN1
SCHEMBL4285433 0.85 CD274 (0.38) SMN1; SMN2HPGDCD274RAB9A
SCHEMBL4279713 0.85 CREBBP (0.38) SMN1; SMN2HPGDL3MBTL1CD274LMNA
SCHEMBL4287284 0.85 HPGD (0.42) KMT2AHPGDCD274MAPTLMNA
SCHEMBL4288807 0.83 RORC (0.42)
SCHEMBL4284325 0.83 CD274 (0.36) CD274
SCHEMBL4288424 0.83 CD274 (0.37) KMT2ASMN1; SMN2CD274MAPTALDH1A1

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 KMT2A 871/4885SMN1; SMN2 4064/4885HPGD 2563/4885

“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.