SCHEMBL4281598

SCHEMBL4281598

Cc1[nH]nc(C(=O)NC2CCCC2)c1NC(=O)c1cnccn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMYD3 Q9H7B4 1/20 0.45
KDM5A P29375 1/20 0.44
GRM5 P41594 1/20 0.44
DYRK1A Q13627 4/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
WNT1 P04628 2/20 0.42
ACKR3 P25106 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4281243 0.86 GAA (0.48) SMN1; SMN2GAAALDH1A1HPGDTSHR
SCHEMBL5269598 0.78 TSHR (0.47) SMN1; SMN2GAAALDH1A1HPGDTSHR
SCHEMBL4279936 0.77 RAB9A (0.54) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL12218526 0.77 GAA (0.64) SMN1; SMN2GAAALDH1A1HPGDTSHR
SCHEMBL20451349 0.77 GAA (0.64) SMN1; SMN2GAAALDH1A1HPGDTSHR
SCHEMBL28266316 0.75 SMYD3 (0.66) SMN1; SMN2GAAALDH1A1HPGDTSHR
SCHEMBL1535206 0.72 SMYD3 (0.74) SMN1; SMN2GAAALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL27767397 0.71 SMYD3 (0.72) SMN1; SMN2GAAALDH1A1HPGDTSHR
SCHEMBL12962652 0.69 NPC1 (0.38) SMYD3DYRK1ANPC1RAB9AWNT1
SCHEMBL3462774 0.68 SMYD3 (0.53) SMN1; SMN2GAAALDH1A1HPGDTSHR

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