SCHEMBL11943393

SCHEMBL11943393

COc1ccc(CCOc2c(N3CCN(Cc4ccccc4C#N)CC3)cnn(-c3ccccc3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.47
▸ SMO Q99835 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ SLC2A3 P11169 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MCHR1 Q99705 3/20 0.41
▸ GPR6 P46095 1/20 0.40
▸ USP7 Q93009 1/20 0.40
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL11943402 0.88 SMO (0.49) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943359 0.87 ALDH1A1 (0.49) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943348 0.86 SMO (0.47) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943349 0.84 SMO (0.49) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943378 0.84 ALDH1A1 (0.48) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943417 0.84 MAPK14 (0.42) SMOSMN1; SMN2SLC2A1SLC2A3LMNA
SCHEMBL11943421 0.84 SMO (0.54) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943377 0.83 NPBWR1 (0.48) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943424 0.83 SMO (0.44) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11943374 0.83 MCHR1 (0.56) NPBWR1SMOSMN1; SMN2ALDH1A1CYP1A2

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-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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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

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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA NPBWR1 4643/4885SMO 4431/4885SMN1; SMN2 3911/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPBWR1 3390/4885SMO 3100/4885SMN1; SMN2 3332/4885

“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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