SCHEMBL11943455

SCHEMBL11943455

CCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCc3ccccc3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ DRD2 P14416 6/20 0.43
▸ DRD4 P21917 6/20 0.43
▸ DRD3 P35462 6/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ DCTPP1 Q9H773 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 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
SCHEMBL13329739 0.94 KMT2A (0.41) KMT2ADRD2DRD4DRD3HTR1A
SCHEMBL11943404 0.94 SMO (0.43) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943440 0.91 KMT2A (0.44) KMT2ADRD2DRD4DRD3HTR1A
SCHEMBL11943405 0.87 DRD2 (0.40) KMT2ADRD2DRD4DRD3HTR1A
SCHEMBL11943448 0.86 DRD2 (0.44) KMT2ADRD2DRD4DRD3HTR1A
SCHEMBL11943329 0.84 ALDH1A1 (0.46) KMT2ADRD2DRD4DRD3HTR1A
SCHEMBL11943320 0.83 ALDH1A1 (0.42) KMT2AMAPTLMNASMN1; SMN2POLB
SCHEMBL11943459 0.83 SMO (0.49) KMT2ADRD2DRD4DRD3MAPT
SCHEMBL14081678 0.81 NPBWR1 (0.47) KMT2ADRD2DRD4DRD3MAPT
SCHEMBL11943067 0.80 ALDH1A1 (0.48) KMT2ADRD2DRD4DRD3HTR1A

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 KMT2A 3312/4885DRD2 4876/4885DRD4 4875/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 KMT2A 2126/4885DRD2 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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