SCHEMBL4137827

SCHEMBL4137827

N#Cc1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
EGLN2 Q96KS0 1/20 0.31
FLT3 P36888 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL4148427 0.85 CYP11B1 (0.33) MAOAMAOBCYP11B1CYP11B2FLT3
SCHEMBL2855952 0.82 IMPDH2 (0.39) MAOAMAOB
SCHEMBL4139741 0.76 VCAM1 (0.34)
SCHEMBL4140214 0.75 EGLN2 (0.31) EGLN2
SCHEMBL20920118 0.74 MAPK1 (0.32)
SCHEMBL4149112 0.73 MAPK1 (0.39) CYP11B2
SCHEMBL27623744 0.73 BACE1 (0.36)
SCHEMBL13927655 0.73 TRPV4 (0.36) MAOAMAOBCYP11B1CYP11B2EGLN2
SCHEMBL28209418 0.72 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL12373963 0.70 CNR1 (0.39)

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 MAOA 2221/4885MAOB 1861/4885CYP11B1 124/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAOA 2624/4885MAOB 2177/4885CYP11B1 138/4885

“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.