SCHEMBL4149501

SCHEMBL4149501

C#CCNC(=O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
KDR P35968 2/20 0.40
NPC1 O15118 1/20 0.35
MAOB P27338 1/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 2/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33

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
SCHEMBL4149499 1.00 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AKDRNPC1MAOB
SCHEMBL4145185 0.91 EGLN1 (0.34) SMN1; SMN2KDRDRD3DRD2DRD4
SCHEMBL4145196 0.91 EGLN1 (0.34) SMN1; SMN2KDRDRD3DRD2DRD4
SCHEMBL13927848 0.88 DRD3 (0.35) SMN1; SMN2KDRDRD3DRD2DRD4
SCHEMBL4152208 0.88 MAPT (0.45) SMN1; SMN2MAPTTHRBPOLB
SCHEMBL4152203 0.88 MAPT (0.45) SMN1; SMN2MAPTTHRBPOLB
SCHEMBL4139682 0.88 DRD3 (0.35) SMN1; SMN2KDRDRD3DRD2DRD4
SCHEMBL4148210 0.87 CHEK1 (0.35) SMN1; SMN2KDRDRD3DRD2DRD4
SCHEMBL4148230 0.87 CHEK1 (0.35) SMN1; SMN2KDRDRD3DRD2DRD4
SCHEMBL4137716 0.87 KDM4E (0.39) KDRDRD3DRD2DRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3886/4885RAB9A 1606/4885KDR 932/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3772/4885RAB9A 1726/4885KDR 1044/4885

“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.