SCHEMBL11943450

SCHEMBL11943450

O=c1c(OCc2cccnc2)c(N2CCN(Cc3cccs3)CC2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 10/20 0.47
▸ DRD3 P35462 9/20 0.47
▸ DRD2 P14416 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DRD5 P21918 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ GFER P55789 1/20 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
SCHEMBL11943325 0.84 DRD2 (0.41) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11943438 0.84 KDM4E (0.46) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11943423 0.82 CYP2D6 (0.48) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11943363 0.81 DRD4 (0.48) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11943334 0.80 DRD4 (0.52) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11943472 0.79 DRD4 (0.51) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11943379 0.79 HRH3 (0.43) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL11945347 0.78 MAPT (0.52) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL14080954 0.77 ALDH1A1 (0.51) DRD4DRD3DRD2ALDH1A1POLB
SCHEMBL11943338 0.77 ALDH1A1 (0.51) DRD4DRD3DRD2KDM4EALDH1A1

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.

Send feedback