SCHEMBL928293

SCHEMBL928293

CC1NCCn2c(-c3ccco3)nnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.57
ALDH1A1 P00352 11/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL8025237 0.77 ALDH1A1 (0.41) TACR3ALDH1A1KDM4EHPGDNPSR1
SCHEMBL928185 0.76 TACR3 (0.57) TACR3ALDH1A1KDM4EHPGDTSHR
SCHEMBL14635101 0.74 TACR3 (0.52) TACR3TSHRMAPK1CHRM2CHRM4
SCHEMBL929725 0.74 TACR3 (0.52) TACR3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17644327 0.74 TACR3 (0.52) TACR3TSHRMAPK1CHRM2CHRM4
SCHEMBL930214 0.74 TACR3 (0.52) TACR3TSHRMAPK1CHRM2CHRM4
SCHEMBL14850678 0.73 TACR3 (1.00) TACR3
SCHEMBL14850828 0.73 TACR3 (0.64) TACR3
SCHEMBL14850738 0.73 TACR3 (1.00) TACR3
SCHEMBL16047545 0.73 TACR3 (0.64) TACR3

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 486/4885ALDH1A1 2888/4885KDM4E 1667/4885

“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.