SCHEMBL4142114

SCHEMBL4142114

O=C(Nc1ccccc1)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
ELANE P08246 13/20 0.44
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4140327 0.86 ELANE (0.47) ELANEMEN1KMT2ARAB9A
SCHEMBL4140168 0.86 ELANE (0.51) ELANEADORA3MEN1KMT2ANPC1
SCHEMBL4143502 0.85 ELANE (0.45) EGFRSRCELANEMEN1KMT2A
SCHEMBL23901080 0.78 ELANE (0.50) ELANE
SCHEMBL31391671 0.78 ELANE (0.50) ELANE
SCHEMBL14785602 0.77 ELANE (0.66) ELANE
SCHEMBL16025626 0.76 ELANE (0.37) ELANEADORA3MEN1KMT2A
SCHEMBL30084144 0.73 ELANE (0.34) ELANEADORA3MEN1KMT2A
SCHEMBL26128656 0.73 ADRB2 (0.40) ELANEADORA3NPC1RAB9A
SCHEMBL14699195 0.73 ELANE (0.46) ELANE

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 EGFR 837/4885SRC 139/4885ELANE 3610/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B EGFR 991/4885SRC 151/4885ELANE 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.