SCHEMBL4281243

SCHEMBL4281243

CCc1[nH]nc(C(=O)NC2CCCC2)c1NC(=O)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM5A P29375 1/20 0.42
LMNA P02545 1/20 0.42
GRM5 P41594 1/20 0.42
ACKR3 P25106 2/20 0.41
DYRK1A Q13627 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
WNT1 P04628 2/20 0.41

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
SCHEMBL4281598 0.86 SMN1; SMN2 (0.48) GAASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL5269598 0.75 TSHR (0.47) GAASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL20451349 0.74 GAA (0.64) GAASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL12218526 0.74 GAA (0.64) GAASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL28266316 0.73 SMYD3 (0.66) GAASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL1535206 0.70 SMYD3 (0.74) GAASMN1; SMN2ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL27767397 0.69 SMYD3 (0.72) GAASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL4283112 0.68 HTT (0.51) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL3461152 0.66 HRH2 (0.56) GAASMN1; SMN2SMYD3NPC1RAB9A
SCHEMBL3460359 0.66 SMYD3 (0.53) GAASMN1; SMN2ALDH1A1HPGDTSHR

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 GAA 2871/4885SMN1; SMN2 4064/4885ALDH1A1 694/4885

“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.