SCHEMBL5029945

SCHEMBL5029945

O=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TTK P33981 1/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
LMNA P02545 1/20 0.40
CHEK1 O14757 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL14074994 0.84 HPGD (0.48) SCN9AHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL5030106 0.84 CHEK1 (0.40) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL5030020 0.82 HPGD (0.45) AURKAAURKBHPGDRAB9ARECQL
SCHEMBL5029962 0.82 LMNA (0.45) SCN9ARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4148339 0.79 CHEK1 (0.47) AURKAMEN1KMT2ACHEK1CDK1
SCHEMBL4148344 0.79 CHEK1 (0.47) AURKAMEN1KMT2ACHEK1CDK1
SCHEMBL5029997 0.78 HPGD (0.52) SCN9AHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4146553 0.78 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146547 0.78 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5029958 0.76 TRPV3 (0.45) SCN9ACHEK1CDK1CDK4CCNA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SCN9A 2678/4885AURKA 710/4885AURKB 579/4885

“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.