SCHEMBL929293

SCHEMBL929293

CC1NCCn2c(-c3cccnc3)nnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.51
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GAA P10253 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP2A6 P11509 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP2A13 Q16696 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
BCHE P06276 1/20 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
SCHEMBL928185 0.84 TACR3 (0.57) TACR3GAAPARP10PARP11ALDH1A1
SCHEMBL929542 0.83 TACR3 (0.59) TACR3P2RX7
SCHEMBL25225767 0.77 TP53 (0.54) TACR3ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL25280034 0.77 TP53 (0.54) TACR3ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL928992 0.77 TACR3 (0.50) TACR3GAACYP2A6CYP3A4CYP2C19
SCHEMBL17644327 0.77 TACR3 (0.52) TACR3CHRM2CHRM4CHRM5CHRM1
SCHEMBL14635101 0.77 TACR3 (0.52) TACR3CHRM2CHRM4CHRM5CHRM1
SCHEMBL930214 0.77 TACR3 (0.52) TACR3CHRM2CHRM4CHRM5CHRM1
SCHEMBL8028635 0.77 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL928381 0.76 CYP1A2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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 TACR3 486/4885CHRM2 1363/4885CHRM4 449/4885

“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.