SCHEMBL930989

SCHEMBL930989

c1cc(-c2nnc3n2CCNC3)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP2D6 P10635 3/20 0.37
USP2 O75604 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALOX15 P16050 3/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 5/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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 0.78 HPGD (0.56) GSK3BDYRK1AALDH1A1KMT2AHPGD
SCHEMBL14863278 0.76 HPGD (0.55) MAPTGSK3BDYRK1AALDH1A1MEN1
SCHEMBL108722 0.76 GSK3B (0.42) CYP1A2GSK3BDYRK1AALDH1A1HSD17B10
SCHEMBL2356064 0.75 HPGD (0.56) MAPTGSK3BDYRK1AALDH1A1MEN1
SCHEMBL1203436 0.75 GSK3B (0.56) GSK3BDYRK1AALDH1A1HSD17B10HPGD
SCHEMBL929685 0.75 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL928013 0.74 GSK3B (0.38) CYP1A2CYP3A4GSK3BDYRK1AALDH1A1
SCHEMBL930129 0.73 GSK3B (0.38) GSK3BDYRK1AALDH1A1MEN1KMT2A
SCHEMBL14863275 0.73 ALDH1A1 (0.44) GSK3BDYRK1AALDH1A1KMT2AHPGD
SCHEMBL8011225 0.73 CYP1A2 (0.47) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6

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 CYP1A2 1224/4885CYP3A4 821/4885LMNA 4663/4885

“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.