SCHEMBL5032378

SCHEMBL5032378

O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
AURKA O14965 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
AURKB Q96GD4 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
KCNMA1 Q12791 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
FGFR1 P11362 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL6428772 0.91 KDR (0.49) KDRRAB9AALDH1A1AURKASMN1; SMN2
SCHEMBL5032432 0.90 KDR (0.47) KDRRAB9AALDH1A1AURKASMN1; SMN2
SCHEMBL6426287 0.89 KMT2A (0.45) KDRRAB9AALDH1A1AURKASMN1; SMN2
SCHEMBL6426072 0.89 KMT2A (0.47) KDRRAB9AALDH1A1AURKASMN1; SMN2
SCHEMBL6427891 0.88 MAPT (0.49) KDRRAB9AALDH1A1AURKASMN1; SMN2
SCHEMBL5027599 0.83 KDR (0.46) KDRRAB9AALDH1A1AURKASMN1; SMN2
SCHEMBL13927861 0.79 KDR (0.44) KDRAURKAAURKBMEN1KMT2A
SCHEMBL5030146 0.78 KDR (0.46) KDRAURKAAURKBFGFR1
SCHEMBL5032410 0.77 KDR (0.42) KDRAURKAAURKBFGFR1
SCHEMBL4148985 0.77 AURKA (0.68) KDRAURKAAURKBMEN1KMT2A

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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

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 KDR 932/4885RAB9A 1606/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885RAB9A 1726/4885ALDH1A1 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.