SCHEMBL929352

SCHEMBL929352

c1cncc(-c2ccc3n2CCNC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2A6 P11509 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALOX15 P16050 2/20 0.40
GBA1 P04062 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
CYP2A13 Q16696 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39

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
SCHEMBL928978 0.83 HTR2A (0.37) HTR2AHTR2CPIM1PIM3
SCHEMBL930223 0.81 ADRB2 (0.41) NISCHHTR2AHTR2C
SCHEMBL7856161 0.76 CHRNB4 (0.44) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2A6
SCHEMBL8028928 0.73 CYP1A2 (0.47) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2A6
SCHEMBL928670 0.73 MKNK1 (0.43) MKNK1MKNK2CYP1A2CYP3A4ALDH1A1
SCHEMBL928949 0.73 HTR7 (0.47) CYP1A2ALDH1A1HIF1ANISCHKDM4E
SCHEMBL14879200 0.72 MKNK1 (0.45) MKNK1MKNK2CYP1A2CYP3A4ALDH1A1
SCHEMBL929336 0.72 HTR2A (0.36) HTR2AHTR2C
Fumaric Acid SCHEMBL9430997 0.71 KDM4E (0.46) CYP3A4ALDH1A1HSD17B10KDM4EHTR2A
Fumaric Acid SCHEMBL7287715 0.71 KDM4E (0.46) CYP3A4ALDH1A1HSD17B10KDM4EHTR2A

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 MKNK1 1530/4885MKNK2 1165/4885CYP1A2 1224/4885

“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.