SCHEMBL4136532

SCHEMBL4136532

CCOC(=O)c1ccc2[nH]nc(C=Cc3cnccn3)c2c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.36
KDR P35968 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
NUDT1 P36639 1/20 0.34
DPP4 P27487 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL4136529 1.00 FGFR1 (0.36) FGFR1KDRALDH1A1GAANUDT1
SCHEMBL4145304 0.87 RAB9A (0.34) FGFR1KDRGAARAB9AKDM4E
SCHEMBL4145309 0.87 RAB9A (0.34) FGFR1KDRGAARAB9AKDM4E
SCHEMBL4144873 0.84 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4144877 0.84 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4140268 0.82 TUBB4A (0.41) ALDH1A1GAADPP4KDM4EGABRP
SCHEMBL4140260 0.82 TUBB4A (0.41) ALDH1A1GAADPP4KDM4EGABRP
SCHEMBL6426431 0.81 HPGDS (0.40) FGFR1KDRRAB9A
SCHEMBL4141139 0.80 ALDH1A1 (0.37) FGFR1KDRALDH1A1KDM4ETP53
SCHEMBL4141145 0.80 ALDH1A1 (0.37) FGFR1KDRALDH1A1KDM4ETP53

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 FGFR1 278/4885KDR 932/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B FGFR1 328/4885KDR 1044/4885ALDH1A1 2713/4885

“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.