SCHEMBL8019063

SCHEMBL8019063

CC1c2ncc(-c3cccnc3F)n2CCN1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA6 Q15825 2/20 0.35
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
MTOR P42345 1/20 0.32
KCNH2 Q12809 3/20 0.31
GRIA2 P42262 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MAPT P10636 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
CHRNA4 P43681 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
SCHEMBL8025159 0.80 TACR3 (0.43) QPCTQPCTLKCNH2
SCHEMBL929494 0.79 HTR2A (0.33) CHRNB2CHRNA6QPCTQPCTLMTOR
SCHEMBL8022104 0.74 CHRNB2 (0.39) CHRNB2QPCTQPCTLMTORKCNH2
SCHEMBL8030444 0.74 CHRNB4 (0.38) CHRNB2CHRNA6KCNH2GRIA2
SCHEMBL8034382 0.73 MTOR (0.38) CHRNB2CHRNA6QPCTQPCTLMTOR
SCHEMBL3817339 0.70 TACR3 (0.35) KCNH2
SCHEMBL930918 0.68 GSK3B (0.40)
SCHEMBL8024044 0.68
SCHEMBL8028625 0.68 GRM5 (0.38) CHRNB2CHRNA6MTORKCNH2GRIA2
SCHEMBL8019029 0.68 CYP2C19 (0.43) CHRNB2CHRNA6GRIA2MAOA

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 CHRNB2 1598/4885CHRNA6 609/4885QPCT 577/4885

“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.