SCHEMBL931093

SCHEMBL931093

CN1NCCc2c1cccc2C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
NCF1 P14598 1/20 0.37
EPHX2 P34913 1/20 0.36
AKT1 P31749 2/20 0.35
HTR2C P28335 8/20 0.35
HTR2B P41595 6/20 0.35
HTR2A P28223 6/20 0.35
HSD11B1 P28845 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PIK3CD O00329 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CACNA1S Q13698 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL930304 0.79 NOTUM (0.45) NOTUMAKT1KDM4E
SCHEMBL929251 0.77 PARP10 (0.42) AKT1HTR2CHTR2BHTR2AKDM4E
SCHEMBL929627 0.77 HTR2C (0.44) NOTUMHTR2CHTR2BKDM4ECYP3A4
SCHEMBL23055380 0.76 NOTUM (0.60) NOTUMNCF1AKT1HTR2CHTR2B
SCHEMBL930340 0.76 NOTUM (0.45) NOTUMHTR2CHTR2AKDM4E
SCHEMBL927994 0.75 AADAT (0.38) NOTUMNCF1EPHX2HTR2CHTR2B
SCHEMBL930331 0.73 NOTUM (0.48) NOTUMHTR2CHTR2BMAPT
SCHEMBL12905313 0.73 NOTUM (0.57) NOTUMNCF1EPHX2AKT1HTR2C
SCHEMBL929250 0.72 PARP10 (0.40) AKT1HTR2CHTR2BPIK3CDCYP3A4
SCHEMBL928420 0.71 DRD2 (0.38) HSD11B1ALDH1A1

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 NOTUM 2035/4885NCF1 3451/4885EPHX2 1924/4885

“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.