SCHEMBL930073

SCHEMBL930073

Fc1ccc(-c2nnc3n2CCNC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.43
DYRK1A Q13627 5/20 0.43
WNT1 P04628 3/20 0.35
TGFBR1 P36897 1/20 0.35
CYP2A6 P11509 3/20 0.34
CYP2B6 P20813 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
PIM1 P11309 1/20 0.34
HPGD P15428 4/20 0.33
CYP2E1 P05181 1/20 0.33
MAP3K5 Q99683 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TACR3 P29371 1/20 0.32

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
SCHEMBL1203436 0.82 GSK3B (0.56) GSK3BDYRK1AWNT1TGFBR1HPGD
SCHEMBL928947 0.80 GSK3B (0.48) GSK3BDYRK1AWNT1
SCHEMBL17836811 0.78 GSK3B (0.48) GSK3BDYRK1AWNT1HPGDMAP3K5
SCHEMBL14863278 0.77 HPGD (0.55) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL2444169 0.77 GSK3B (0.47) GSK3BDYRK1ACYP2C19PIM1HPGD
SCHEMBL2356064 0.76 HPGD (0.56) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL928670 0.75 MKNK1 (0.43) CYP2A6CYP3A4CHRNB2CHRNA4HPGD
SCHEMBL928013 0.75 GSK3B (0.38) GSK3BDYRK1ACYP3A4PIM1HPGD
SCHEMBL706557 0.75 HPGD (0.56) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL8034534 0.74 CYP2A6 (0.40) CYP2A6CYP2B6CYP3A4CYP2C19CHRNB2

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 GSK3B 2860/4885DYRK1A 1845/4885WNT1 4803/4885

“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.