SCHEMBL1311292

SCHEMBL1311292

CCOC(=O)c1cc(-c2cn3cc(F)ccc3n2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
POLB P06746 2/20 0.48
FAAH O00519 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CHRNA7 P36544 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
RAB9A P51151 4/20 0.43
APP P05067 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1311749 0.87 KDM4E (0.55) KDM4EPOLBFAAHGABRA2GABRB2
SCHEMBL1311089 0.87 KDM4E (0.48) KDM4EPOLBFAAHMMP2MMP13
SCHEMBL1312675 0.86 APP (0.47) KDM4EPOLBCYP11B1CYP11B2RAB9A
SCHEMBL12011435 0.85 APP (0.46) KDM4EPOLBCYP11B1CYP11B2RAB9A
SCHEMBL1311917 0.83 KDM4E (0.52) KDM4EPOLBFAAHMMP2MMP13
SCHEMBL4098270 0.82 KDM4E (0.64) KDM4EPOLBGABRA2GABRB2RAB9A
SCHEMBL3603850 0.78 CHRNA7 (0.60) KDM4EFAAHGABRA2GABRB2CHRNA7
SCHEMBL12970525 0.77 APP (0.54) KDM4EPOLBCYP11B1CYP11B2GABRA2
SCHEMBL1312748 0.74 PTGS2 (0.50) KDM4EGAAKMT2AALDH1A1
SCHEMBL1311640 0.73 APP (0.46) KDM4EPOLBRAB9AAPPCLK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386546-B1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC (JP) 2015-08-19 EP disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 US disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 US disclosed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 EP disclosed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 EP disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 US disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 US disclosed
US-RE42840-E1 Stool flushing device TOTO, LTD. (JP) 2011-10-18 US disclosed
WO-2010058858-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY ラクオリア創薬株式会社 (JP) 2010-05-27 WO 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 (1 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-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY HTR2B, HTR1B, HTR3B KDM4E 3923/4885POLB 2908/4885FAAH 310/4885

“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.