SCHEMBL929665

SCHEMBL929665

c1csc(-c2nnc3n2CCNC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR3 P29371 2/20 0.39
ADRB1 P08588 1/20 0.38
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ERG P11308 1/20 0.36

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
Hydrochloric Acid SCHEMBL2563174 0.83 RAB9A (0.48) KDM4EALDH1A1HPGDSMN1; SMN2TACR3
SCHEMBL706557 0.76 HPGD (0.56) KDM4EALDH1A1HPGDTACR3KMT2A
SCHEMBL108722 0.75 GSK3B (0.42) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3976531 0.75 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL930129 0.75 GSK3B (0.38) ALDH1A1HPGDMEN1KMT2AGSK3B
SCHEMBL8028694 0.75 TACR3 (0.47) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL14863278 0.72 HPGD (0.55) KDM4EALDH1A1HPGDADRB1GAA
SCHEMBL14863275 0.72 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2ADRB1
SCHEMBL106779 0.72 TACR3 (0.52) SMN1; SMN2TACR3TSHRCYP1A2CYP2C9
SCHEMBL929725 0.71 TACR3 (0.52) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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 KDM4E 1667/4885HSD17B10 3707/4885ALDH1A1 2888/4885

“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.