SCHEMBL929685

SCHEMBL929685

c1coc(-c2nnc3n2CCNC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
P2RX7 Q99572 1/20 0.41
SIRT1 Q96EB6 4/20 0.40
POLB P06746 2/20 0.40
NR4A1 P22736 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
DCTPP1 Q9H773 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
NSD2 O96028 1/20 0.37
RAB9A P51151 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
SCHEMBL706557 0.76 HPGD (0.56) ALDH1A1KDM4EHPGD
SCHEMBL930989 0.75 CYP1A2 (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3555845 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDP2RX7SIRT1
Hydrochloric Acid SCHEMBL30980060 0.74 MAPT (0.35) ALDH1A1KDM4EHPGDPOLBTDP1
SCHEMBL12905247 0.73 P2RX7 (0.48) ALDH1A1KDM4EHPGDP2RX7HSD17B10
Hydrochloric Acid SCHEMBL30980031 0.72 HTR2A (0.33)
Hydrochloric Acid SCHEMBL30980026 0.72 PARP1 (0.37)
SCHEMBL14863278 0.72 HPGD (0.55) ALDH1A1KDM4EHPGDNISCH
SCHEMBL108722 0.72 GSK3B (0.42) ALDH1A1KDM4EHPGDP2RX7HSD17B10
SCHEMBL106779 0.72 TACR3 (0.52) P2RX7TSHRNPC1

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 ALDH1A1 2888/4885KDM4E 1667/4885HPGD 720/4885

“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.