SCHEMBL11943428

SCHEMBL11943428

Cc1ccc(C)c(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCc3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ TRPC5 Q9UL62 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GAA P10253 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
SCHEMBL11943401 0.88 ALDH1A1 (0.47) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL14080954 0.88 ALDH1A1 (0.51) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL14082776 0.87 MAPK14 (0.44) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943349 0.85 SMO (0.49) SMOALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL13329599 0.85 MAPT (0.46) SMODRD2DRD4DRD3TRPC5
SCHEMBL11943406 0.85 SMO (0.53) SMODRD2DRD4DRD3TRPC5
SCHEMBL14081538 0.84 MAPK14 (0.41) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943425 0.83 SMO (0.51) SMODRD2DRD4DRD3TRPC5
SCHEMBL11943370 0.83 MAPT (0.41) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943422 0.82 MAPK14 (0.45) DRD2DRD4DRD3ALDH1A1SMN1; SMN2

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 7 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
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED 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 (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 SMO 4431/4885DRD2 4876/4885DRD4 4875/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SMO 3100/4885DRD2 4866/4885DRD4 4876/4885

“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