SCHEMBL4131820

SCHEMBL4131820

CC1(COc2c(N3CCNCC3)cnn(-c3cccc(Cl)c3)c2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 3/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ HTR6 P50406 4/20 0.44
▸ TP53 P04637 4/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ HTR2B P41595 3/20 0.44
▸ HTR3A P46098 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44

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
Hydrochloric Acid SCHEMBL4137286 0.99 NPBWR1 (0.45) NPBWR1MCHR1HTR6TP53HTR2C
SCHEMBL14081477 0.91 NPBWR1 (0.44) NPBWR1MCHR1HTR6TP53HTR2C
SCHEMBL14899781 0.90 NPBWR1 (0.35) NPBWR1MCHR1HTR6CYP3A4CYP2C19
SCHEMBL14081038 0.90 TP53 (0.48) NPBWR1MCHR1TP53CYP3A4CYP2C19
SCHEMBL17057895 0.89 RAB9A (0.44) NPBWR1MCHR1CYP3A4CYP2C19CYP1A2
SCHEMBL14899875 0.89 NPBWR1 (0.39) NPBWR1MCHR1HTR6TP53CYP3A4
SCHEMBL17058001 0.89 NPBWR1 (0.45) NPBWR1MCHR1TP53CYP3A4CYP2C19
SCHEMBL11946412 0.88 POLB (0.43) NPBWR1MCHR1HTR6TP53HTR2C
SCHEMBL17058074 0.87 CYP3A4 (0.44) NPBWR1MCHR1HTR6TP53HTR2C
SCHEMBL11945431 0.86 POLB (0.51) NPBWR1MCHR1CYP3A4CYP2C19POLB

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
EP-2137179-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2009-12-30 — — EP disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA NPBWR1 4643/4885MCHR1 4513/4885HTR6 3893/4885

“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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