SCHEMBL4154114

SCHEMBL4154114

O=C(NC1CC1)c1cc(F)c2[nH]nc(C=Cc3cccnc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
DYRK1A Q13627 10/20 0.42
WNT1 P04628 8/20 0.42
NTSR1 P30989 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RIPK2 O43353 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HTT P42858 1/20 0.38
KDR P35968 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4154109 1.00 NAMPT (0.44) NAMPTDYRK1AWNT1NTSR1ALDH1A1
SCHEMBL13927825 0.89 KDR (0.46) KDRRAB9A
SCHEMBL13927831 0.88 KDR (0.40) KDR
SCHEMBL13927826 0.87 ATM (0.41) DYRK1AL3MBTL1KDR
SCHEMBL13927827 0.85 CCR3 (0.41) DYRK1AKDRRAB9A
SCHEMBL4142185 0.84 NTSR1 (0.47) NTSR1ALDH1A1KDRRAB9A
SCHEMBL4142181 0.84 NTSR1 (0.47) NTSR1ALDH1A1KDRRAB9A
SCHEMBL13927830 0.83 KDR (0.55) RIPK2KDR
SCHEMBL13927823 0.82 CHEK1 (0.41) DYRK1AWNT1L3MBTL1KDR
SCHEMBL13927829 0.82 KDR (0.37) L3MBTL1KDRRAB9A

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 NAMPT 3317/4885DYRK1A 228/4885WNT1 366/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NAMPT 3451/4885DYRK1A 258/4885WNT1 255/4885

“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.