SCHEMBL8034382

SCHEMBL8034382

CC1c2nc(-c3cccnc3F)cn2CCN1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.38
MAPT P10636 4/20 0.36
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA6 Q15825 2/20 0.33
PDE2A O00408 3/20 0.32
PDE10A Q9Y233 3/20 0.32
PDE5A O76074 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
DYRK1A Q13627 1/20 0.32
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
AKT1 P31749 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
GRIA2 P42262 1/20 0.31
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
EGFR P00533 1/20 0.31
ATR Q13535 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
SCHEMBL930268 0.80 MTOR (0.38) MTORMAPTKCNH2HRH3AKT1
SCHEMBL8034527 0.74 GRM5 (0.38) MTORMAPTKCNH2HRH3GRM5
SCHEMBL8025159 0.73 TACR3 (0.43) KCNH2QPCTQPCTL
SCHEMBL8019063 0.73 CHRNB2 (0.35) MTORMAPTKCNH2HRH3CHRNB2
SCHEMBL8028934 0.73 CHRNB2 (0.38) MTORMAPTCHRNB2DYRK1AQPCT
SCHEMBL3822949 0.71 P2RX7 (0.33) KCNH2GRM5
SCHEMBL3816163 0.71 TACR3 (0.33) MTORPDE2APDE10APDE5APDE11A
SCHEMBL929465 0.70 GRM5 (0.47) MAPTGRM5
SCHEMBL929133 0.70 GRM5 (0.40) MAPTGRM5
SCHEMBL8028625 0.69 GRM5 (0.38) MTORKCNH2CHRNB2CHRNA6GRM5

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 4 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
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
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

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 MTOR 1584/4885MAPT 2144/4885KCNH2 361/4885

“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.