SCHEMBL1311905

SCHEMBL1311905

Cn1nc(C(=O)NCCN2CCOCC2)cc1-c1cc2cccnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ RIPK1 Q13546 2/20 0.48
▸ CD274 Q9NZQ7 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ ULK1 O75385 1/20 0.45

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
SCHEMBL1326031 0.86 CD274 (0.47) SMN1; SMN2ALDH1A1PARP1CD274KMT2A
SCHEMBL1312563 0.85 RIPK1 (0.45) KDM4EHSD17B10RIPK1CHRNB2CHRNB4
SCHEMBL1314038 0.85 ULK1 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10PARP1
SCHEMBL1312227 0.85 CD274 (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10PARP1
SCHEMBL1311589 0.85 ULK1 (0.54) SMN1; SMN2ALDH1A1KDM4EHSD17B10PARP1
SCHEMBL1311791 0.82 IRAK4 (0.48) SMN1; SMN2ALDH1A1PARP1CD274PTGS2
SCHEMBL1312989 0.82 KDM4E (0.56) SMN1; SMN2ALDH1A1KDM4EHSD17B10PARP1
SCHEMBL1311636 0.82 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CD274CYP1A2CYP2D6
SCHEMBL1315662 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CD274CYP1A2CYP2D6
SCHEMBL1311402 0.81 PARP1 (0.50) SMN1; SMN2KDM4EHSD17B10PARP1CD274

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 15 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
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 SMN1; SMN2 3259/4885ALDH1A1 1210/4885KDM4E 3923/4885

“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.

Send feedback