SCHEMBL929494

SCHEMBL929494

CC1NCCn2c(-c3cccnc3F)cnc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TACR3 P29371 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA6 Q15825 1/20 0.32
MTOR P42345 1/20 0.32
DYRK1A Q13627 1/20 0.32
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
MAPT P10636 2/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL930257 0.80 TACR3 (0.48) TACR3MTORQPCTQPCTL
SCHEMBL8019063 0.79 CHRNB2 (0.35) CHRNB2CHRNA6MTORQPCTQPCTL
SCHEMBL930918 0.75 GSK3B (0.40) DYRK1A
SCHEMBL930268 0.75 MTOR (0.38) MTORMAPTATRATRIP
SCHEMBL930091 0.74 CHRNB2 (0.36) TACR3CHRNB2MTORDYRK1AQPCT
SCHEMBL30464579 0.71 BACE1 (0.44) HTR2AHTR2CHTR2BDYRK1A
Hydrochloric Acid SCHEMBL25282021 0.70 BACE1 (0.43) HTR2AHTR2CHTR2BDYRK1A
Hydrochloric Acid SCHEMBL31055677 0.70 BACE1 (0.43) HTR2AHTR2CHTR2BDYRK1A
SCHEMBL929678 0.69 TACR3 (0.44) HTR2AHTR2CTACR3
SCHEMBL8030444 0.68 CHRNB4 (0.38) CHRNB2CHRNA6DYRK1A

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 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.