SCHEMBL1312227

SCHEMBL1312227

Cn1nc(C(=O)NCCN2CCOCC2)cc1-c1cc2cncnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.46
▸ ULK1 O75385 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ PTGS2 P35354 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1314038 0.87 ULK1 (0.49) CD274ULK1PARP1PTGS2ALDH1A1
SCHEMBL1311589 0.86 ULK1 (0.54) CD274ULK1PARP1PTGS2ALDH1A1
SCHEMBL1311583 0.86 CD274 (0.45) CD274PARP1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL1311791 0.86 IRAK4 (0.48) CD274ULK1PARP1PTGS2ALDH1A1
SCHEMBL1311905 0.85 SMN1; SMN2 (0.50) CD274ULK1PARP1PTGS2ALDH1A1
SCHEMBL1326031 0.82 CD274 (0.47) CD274PARP1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL1312230 0.79 PTGS2 (0.46) CD274ULK1PARP1PTGS2ALDH1A1
SCHEMBL1314606 0.78 PARP1 (0.46) CD274PARP1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL1314125 0.78 SMN1; SMN2 (0.47) CD274PARP1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL1746445 0.77 PARP1 (0.49) PARP1PTGS2ALDH1A1SMN1; SMN2CHRNB2

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 13 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 claimed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 — — US claimed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 — — EP claimed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 — — US claimed
US-RE42840-E1 Stool flushing device TOTO, LTD. (JP) 2011-10-18 — — US claimed
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
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 CD274 4874/4885ULK1 2763/4885PARP1 3371/4885

“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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