SCHEMBL930156

SCHEMBL930156

c1ccc(CN(CCn2ccnn2)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
MAOB P27338 1/20 0.39
CYP1A1 P04798 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
PADI4 Q9UM07 2/20 0.37

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
SCHEMBL6760657 0.78 CYP19A1 (0.67) CYP19A1CYP1A1ATP4AATP4BPADI4
SCHEMBL3113486 0.75 CYP19A1 (0.62) CYP19A1ATP4AATP4B
SCHEMBL6760653 0.73 CYP19A1 (0.61) CYP19A1ATP4AATP4B
SCHEMBL155247 0.73 CYP19A1 (1.00) CYP19A1CYP1A1
SCHEMBL30168324 0.72 CYP19A1 (0.59) CYP19A1ATP4AATP4B
Hydrochloric Acid SCHEMBL7263772 0.72 CYP19A1 (0.96) CYP19A1CYP1A1
SCHEMBL4081568 0.70 HTT (0.55) TRPM8TRPV1
SCHEMBL5673787 0.68 SIGMAR1 (0.52) MAOB
SCHEMBL9329761 0.68 HTT (0.53) TRPM8TRPV1
SCHEMBL19326604 0.68 HTT (0.53) TRPM8TRPV1

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
CN-101939323-A Pyrazolopyrimidines, method for the production thereof and use thereof as medicaments MERZ PHARMA GMBH & CO KGAA 2011-01-05 CN 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
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
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
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 CYP19A1 3950/4885MAOB 2530/4885CYP1A1 1962/4885

“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.