SCHEMBL13329739

SCHEMBL13329739

CCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCc3ccc(O)cc3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ DRD4 P21917 7/20 0.40
▸ DRD2 P14416 6/20 0.40
▸ DRD3 P35462 6/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ NPBWR1 P48145 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL11943455 0.94 KMT2A (0.43) KMT2ADRD4DRD2DRD3HTR1A
SCHEMBL11943404 0.91 SMO (0.43) DRD4DRD2DRD3HTR1ANPBWR1
SCHEMBL11943440 0.87 KMT2A (0.44) KMT2ADRD4DRD2DRD3HTR1A
SCHEMBL13329089 0.85 ALDH1A1 (0.43) KMT2ADRD4DRD2DRD3NPBWR1
SCHEMBL11943405 0.83 DRD2 (0.40) KMT2ADRD4DRD2DRD3HTR1A
SCHEMBL11943448 0.82 DRD2 (0.44) KMT2ADRD4DRD2DRD3HTR1A
SCHEMBL11943430 0.80 ALDH1A1 (0.45) DRD2DRD3NPBWR1MCHR1ALDH1A1
SCHEMBL14081678 0.80 NPBWR1 (0.47) KMT2ADRD4DRD2DRD3NPBWR1
SCHEMBL14080964 0.79 NPBWR1 (0.43) KMT2ADRD4DRD2DRD3NPBWR1
SCHEMBL11943329 0.79 ALDH1A1 (0.46) KMT2ADRD4DRD2DRD3HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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 (1 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 KMT2A 2126/4885DRD4 4876/4885DRD2 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