SCHEMBL930331

SCHEMBL930331

COc1cccc2c1CCNN2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42
HTR6 P50406 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTR7 P34969 2/20 0.40

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
SCHEMBL929627 0.77 HTR2C (0.44) NOTUMHTR2CHTR2BDRD2ADRB1
SCHEMBL929251 0.77 PARP10 (0.42) HTR2CHTR2B
SCHEMBL930340 0.76 NOTUM (0.45) NOTUMHTR2CDRD2DRD3ADRB1
SCHEMBL930304 0.76 NOTUM (0.45) NOTUMDRD2DRD3HTR6AADAT
SCHEMBL2625801 0.74 NOTUM (0.59) NOTUMHTR2CHTR2BDRD2DRD3
SCHEMBL929747 0.73 HTR2C (0.46) HTR2CHTR2BDRD2DRD3AADAT
SCHEMBL931093 0.73 NOTUM (0.50) NOTUMHTR2CHTR2BMAPT
SCHEMBL12905309 0.71 NOTUM (0.56) NOTUMHTR2CHTR2BDRD2DRD3
SCHEMBL26618698 0.71 NOTUM (0.53) NOTUMHTR2CHTR2BDRD2DRD3
SCHEMBL928420 0.71 DRD2 (0.38) DRD2DRD3HTR6LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 NOTUM 2035/4885HTR2C 264/4885HTR2B 613/4885

“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.