SCHEMBL4149112

SCHEMBL4149112

COC(=O)c1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 6/20 0.38
▸ ELANE P08246 2/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ NR4A2 P43354 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL4144645 0.84 MAPK1 (0.38) MAPK1KMT2AELANEKDM4ENR4A2
SCHEMBL31522409 0.81 ACSS2 (0.45) MAPK1KMT2AELANEKDM4EALDH1A1
SCHEMBL16025801 0.81 ELANE (0.44) MAPK1KMT2AELANEKDM4EALDH1A1
SCHEMBL27623744 0.80 BACE1 (0.36) MAPK1KMT2AKDM4EALDH1A1MEN1
SCHEMBL14895637 0.80 MAPK1 (0.47) MAPK1ELANEKDM4EALDH1A1PKM
SCHEMBL2861533 0.79 ELANE (0.35) MAPK1KMT2AELANEKDM4ENR4A2
SCHEMBL13927673 0.77 KMT2A (0.38) KMT2AELANENR4A2PKMMAPT
SCHEMBL4144371 0.77 NTSR1 (0.37) MAPK1KMT2AKDM4ENR4A2ALDH1A1
SCHEMBL20916785 0.76 MAPK1 (0.37) MAPK1KMT2AELANEKDM4EALDH1A1
SCHEMBL4139741 0.74 VCAM1 (0.34) 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 810/4885ELANE 3610/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885KMT2A 741/4885ELANE 3685/4885

“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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