SCHEMBL11943347

SCHEMBL11943347

O=c1c(OCc2ccccc2)c(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 7/20 0.59
▸ DRD2 P14416 6/20 0.59
▸ DRD3 P35462 6/20 0.59
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ CHRM1 P11229 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ TP53 P04637 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
SCHEMBL14080954 0.86 ALDH1A1 (0.51) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943338 0.84 ALDH1A1 (0.51) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943403 0.84 ALDH1A1 (0.55) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943422 0.82 MAPK14 (0.45) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943328 0.81 MAPK14 (0.44) DRD4DRD2DRD3MAPTLMNA
SCHEMBL14082776 0.81 MAPK14 (0.44) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943401 0.81 ALDH1A1 (0.47) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943324 0.80 CYP2D6 (0.53) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943415 0.80 DRD2 (0.47) DRD4DRD2DRD3MAPTLMNA
SCHEMBL11943370 0.80 MAPT (0.41) DRD4DRD2DRD3MAPTLMNA

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

“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