SCHEMBL11943363

SCHEMBL11943363

O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(Cc3cccs3)CC2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 10/20 0.48
▸ DRD3 P35462 7/20 0.48
▸ DRD2 P14416 5/20 0.46
▸ POLB P06746 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ DRD5 P21918 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ DRD1 P21728 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
SCHEMBL11943373 0.91 SMN1; SMN2 (0.50) DRD4DRD3DRD2POLBMAPT
SCHEMBL11943463 0.90 DRD2 (0.40) DRD4DRD3DRD2POLBMAPT
SCHEMBL11943472 0.88 DRD4 (0.51) DRD4DRD3DRD2POLBMAPT
SCHEMBL11943446 0.85 SIGMAR1 (0.46) POLBSMN1; SMN2ALDH1A1SIGMAR1LMNA
SCHEMBL11943441 0.84 ALDH1A1 (0.44) DRD2MAPTKDM4EALDH1A1LMNA
SCHEMBL11943322 0.82 SMN1; SMN2 (0.49) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL11943467 0.82 LMNA (0.42) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11943457 0.82 CYP2D6 (0.53) DRD4DRD3DRD2SMN1; SMN2KDM4E
SCHEMBL11943334 0.81 DRD4 (0.52) DRD4DRD3DRD2POLBMAPT
SCHEMBL11943450 0.81 DRD4 (0.47) DRD4DRD3DRD2POLBMAPT

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 DRD4 4875/4885DRD3 4829/4885DRD2 4876/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DRD4 4876/4885DRD3 4865/4885DRD2 4866/4885

“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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