SCHEMBL927880

SCHEMBL927880

CN1NCCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
HTR2B P41595 4/20 0.47
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
NOTUM Q6P988 1/20 0.39
CNR2 P34972 1/20 0.39
ASIC3 Q9UHC3 2/20 0.38
PNMT P11086 3/20 0.36
TDP2 O95551 1/20 0.36
KDM1A O60341 1/20 0.35
SRD5A1 P18405 1/20 0.35
SCD O00767 1/20 0.34

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
SCHEMBL929387 0.87 NOTUM (0.49) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL928907 0.78 HTR2C (0.43) HTR2AHTR2CHTR2BPARP1PARP10
Hydrochloric Acid SCHEMBL941711 0.77 HTR2C (0.42) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL929001 0.76 ALDH1A1 (0.42) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL930645 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL929817 0.75 PNMT (0.44) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL2625800 0.75 NOTUM (0.49) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL930670 0.72 DRD1 (0.46) HTR2AHTR2CHTR2BBIRC2
SCHEMBL12905311 0.72 NOTUM (0.47) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL12049080 0.70 NOTUM (0.48) HTR2AHTR2CHTR2BPARP1PARP10

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 8 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-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 HTR2A 463/4885HTR2C 264/4885HTR2B 613/4885

“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.