SCHEMBL4282897

SCHEMBL4282897

N#CCCNC(=O)c1n[nH]cc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
RXFP1 Q9HBX9 3/20 0.45
P2RX1 P51575 1/20 0.44
LMNA P02545 1/20 0.44
TP53BP1 Q12888 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
KCNK3 O14649 1/20 0.42
MAPT P10636 1/20 0.42
KCNQ3 O43525 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
SCHEMBL4287676 0.89 KDM4E (0.42) ALDH1A1PTGS1RXFP1GPR35KMT2A
SCHEMBL4288238 0.85 KMT2A (0.47) ALDH1A1GAALMNAGPR35MEN1
SCHEMBL4293174 0.85 MCHR1 (0.46) GAARXFP1
SCHEMBL4285079 0.85 CREBBP (0.42) ALDH1A1GAAMEN1NPC1RAB9A
SCHEMBL4283198 0.84 SMN1; SMN2 (0.40) ALDH1A1POLBMEN1NPC1RAB9A
SCHEMBL4287235 0.84 MEN1 (0.52) ALDH1A1POLBGAAGPR35MEN1
SCHEMBL4287409 0.82 CDK14 (0.46) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4294905 0.78 NPC1 (0.42) ALDH1A1POLBLMNANPC1RAB9A
SCHEMBL4288272 0.76 PTK2 (0.41) RAB9AKCNK3
SCHEMBL4288796 0.76 F10 (0.46) ALDH1A1POLBGAAGPR35MEN1

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 ALDH1A1 694/4885POLB 3501/4885GAA 2871/4885

“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.