SCHEMBL929387

SCHEMBL929387

CN1NCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SCN9A Q15858 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
SRD5A1 P18405 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PNMT P11086 3/20 0.36
TDP2 O95551 1/20 0.36
ASIC3 Q9UHC3 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL927880 0.87 HTR2A (0.47) NOTUMHTR2AHTR2CHTR2BPARP1
SCHEMBL928886 0.78 NOTUM (0.45) NOTUMHTR2AHTR2CHTR2BPARP1
SCHEMBL930246 0.76 NOTUM (0.44) NOTUMPARP1PARP10AADATSRD5A1
SCHEMBL929632 0.75 HTR2C (0.47) NOTUMHTR2AHTR2CHTR2BPARP1
SCHEMBL20693639 0.75 NOTUM (0.60) NOTUMHTR2AHTR2CNR1H2NR1H3
SCHEMBL927901 0.72 HTR2C (0.48) NOTUMHTR2AHTR2CHTR2BSRD5A1
SCHEMBL16855153 0.72 NR1H2 (0.52) NOTUMHTR2AHTR2CHTR2BNR1H2
SCHEMBL12905312 0.72 NOTUM (0.57) NOTUMHTR2AHTR2CNR1H2NR1H3
SCHEMBL16817958 0.71 NOTUM (0.49) NOTUMHTR2AHTR2CNR1H2NR1H3
SCHEMBL930398 0.70 PNMT (0.53) HTR2CHTR2BPKMPNMT

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 7 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
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 NOTUM 2035/4885HTR2A 463/4885HTR2C 264/4885

“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.