SCHEMBL2662123

SCHEMBL2662123

Nc1c2c(nc3c(F)cccc13)CN(C1CC1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ GRM5 P41594 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ PARP1 P09874 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL2662522 0.91 MAPK1 (0.48) MAPK1GRM5CYP1A2CYP3A4CYP2C9
SCHEMBL2669595 0.90 MAPK1 (0.47) MAPK1GRM5CYP1A2CYP3A4CYP2C9
SCHEMBL2661944 0.90 MAPK1 (0.47) MAPK1GRM5CYP1A2CYP3A4CYP2C9
SCHEMBL2660877 0.86 MAPK1 (0.43) MAPK1GRM5PARP1POLBHTT
SCHEMBL2660878 0.85 PARP1 (0.38) MAPK1GRM5PARP1POLBHTT
SCHEMBL2669596 0.84 PDE4A (0.42) MAPK1POLBKCNH2MAOAPDE4A
SCHEMBL2661337 0.84 PDE4A (0.42) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2661690 0.84 GABRA1 (0.44) MAPK1ADORA2AMAOAPDE4A
SCHEMBL2661708 0.83 MAPK1 (0.37) MAPK1GRM5PARP1MAOAPDE4A
SCHEMBL2662169 0.83 MAPK1 (0.37) MAPK1GRM5PARP1MAOAPDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF MAPK1 3191/4885GRM5 222/4885CYP1A2 211/4885

“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.

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