SCHEMBL4144645

SCHEMBL4144645

C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(F)c(C(=O)OC)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 6/20 0.35
▸ KDM4E B2RXH2 6/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ NR4A2 P43354 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ BLM P54132 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ F2 P00734 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ PABPC1 P11940 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
SCHEMBL4149112 0.84 MAPK1 (0.39) MAPK1KMT2AKDM4EALDH1A1NR4A2
SCHEMBL4144371 0.82 NTSR1 (0.37) MAPK1KMT2AKDM4EALDH1A1NR4A2
SCHEMBL13927697 0.79 SCN9A (0.34) KMT2AALDH1A1NR4A2PKMBLM
SCHEMBL4148483 0.73 RORC (0.33) KDM4E
SCHEMBL31543073 0.72 MAPK1 (0.51) MAPK1KMT2AKDM4EMEN1MAPT
SCHEMBL4144879 0.71 LMNA (0.35) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL4144638 0.71 NFE2L2 (0.39) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4144882 0.71 LMNA (0.35) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL4144640 0.71 NFE2L2 (0.39) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4153483 0.71 RELA (0.36) KMT2AKDM4EALDH1A1MEN1PKM

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 MAPK1 7/4885KMT2A 810/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885KMT2A 741/4885KDM4E 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.

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