SCHEMBL11943425

SCHEMBL11943425

CCn1ncc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCc3ccccc3)CC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 4/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DCTPP1 Q9H773 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TRPC5 Q9UL62 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38

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
SCHEMBL11943459 0.91 SMO (0.49) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943406 0.89 SMO (0.53) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL14081537 0.88 SMO (0.47) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943362 0.87 SMO (0.52) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943421 0.85 SMO (0.54) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943335 0.84 SMO (0.49) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943327 0.84 SMO (0.46) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL14080954 0.83 ALDH1A1 (0.51) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL11943428 0.83 SMO (0.44) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL14082776 0.83 MAPK14 (0.44) SMODRD2DRD4DRD3ALDH1A1

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 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.

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