SCHEMBL4156689

SCHEMBL4156689

Fc1ccc(C=Cc2n[nH]c3cc(F)c(-c4nc5ccccc5[nH]4)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
KDM4E B2RXH2 7/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
STAT1 P42224 1/20 0.43
CHEK1 O14757 5/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
FGFR1 P11362 2/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL4156685 1.00 RAB9A (0.58) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4156599 0.90 AMY1A (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4156596 0.90 AMY1A (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4143263 0.87 MAPT (0.42) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4146259 0.87 AMY1A (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4146264 0.87 AMY1A (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4143266 0.87 MAPT (0.42) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4145646 0.85 NPC1 (0.40) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4145643 0.85 NPC1 (0.40) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4154820 0.85 MEN1 (0.40) RAB9ANPC1KDM4EMAPTMEN1

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 RAB9A 1606/4885NPC1 3183/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885NPC1 3703/4885KDM4E 2795/4885

“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.