SCHEMBL4146113

SCHEMBL4146113

O=[N+]([O-])c1cc2c(C=Cc3ccccc3F)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NTSR1 P30989 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFE2L2 Q16236 4/20 0.33
TDP1 Q9NUW8 3/20 0.32
CHEK1 O14757 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
VCAM1 P19320 1/20 0.32

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
SCHEMBL4146107 1.00 KMT2A (0.34) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4154456 0.88 MAOA (0.37) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4154453 0.88 MAOA (0.37) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4140237 0.87 MEN1 (0.38) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4140241 0.87 MEN1 (0.38) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4145317 0.86 AURKA (0.34) KMT2AMEN1MAPTLMNANPC1
SCHEMBL4145319 0.86 AURKA (0.34) KMT2AMEN1MAPTLMNANPC1
SCHEMBL4152978 0.85 FBP1 (0.39) KMT2AMEN1ALDH1A1NFE2L2TDP1
SCHEMBL4152982 0.85 FBP1 (0.39) KMT2AMEN1ALDH1A1NFE2L2TDP1
SCHEMBL4151093 0.84 VCP (0.37) KMT2AMEN1MAPTALDH1A1NTSR1

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 6 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 KMT2A 810/4885MEN1 4415/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KMT2A 741/4885MEN1 4470/4885MAPT 3014/4885

“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.