SCHEMBL930223

SCHEMBL930223

c1cc(-c2ccc3n2CCNC3)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
PLD1 Q13393 1/20 0.41
HTR2A P28223 7/20 0.38
HTR2C P28335 7/20 0.38
CSNK1E P49674 1/20 0.37
PKN2 Q16513 2/20 0.36
CDC7 O00311 2/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
LATS1 O95835 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL928978 0.82 HTR2A (0.37) HTR2AHTR2CROCK1
SCHEMBL929352 0.81 MKNK1 (0.43) HTR2AHTR2CNISCH
SCHEMBL929336 0.80 HTR2A (0.36) ADRB2NCF1PLD1HTR2AHTR2C
SCHEMBL930694 0.78 HTR2A (0.36) HTR2AHTR2C
SCHEMBL929712 0.74 HTR2A (0.36) HTR2AHTR2C
SCHEMBL928949 0.74 HTR7 (0.47) PLD1HTR2AHTR2CNISCH
Fumaric Acid SCHEMBL7287715 0.73 KDM4E (0.46) HTR2AHTR2C
SCHEMBL929687 0.71 HTR2A (0.40) HTR2AHTR2CNISCH
SCHEMBL12905227 0.70 GAA (0.38) PKN2CDC7ROCK2ROCK1LATS1
SCHEMBL108722 0.70 GSK3B (0.42) ADRB2NCF1PLD1CSNK1EPKN2

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-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
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 ADRB2 1352/4885NCF1 3451/4885PLD1 1104/4885

“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.