SCHEMBL2661936

SCHEMBL2661936

Nc1c2c(nc3c(-c4cccnc4F)c(F)ccc13)CN(C1CCC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ PDE4A P27815 7/20 0.35
▸ GRM5 P41594 4/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GRM1 Q13255 1/20 0.32
▸ ACVR1 Q04771 2/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL2669424 0.89 MAPK1 (0.36) MAPK1PDE4AGRM5CHRNB2CHRNA6
SCHEMBL2662110 0.88 PIK3CA (0.41) MAPK1PDE4APIK3CA
SCHEMBL2661625 0.84 GABRG2 (0.39) MAPK1PDE4APIK3CA
SCHEMBL2669511 0.84 MAPK1 (0.35) MAPK1GRM5
SCHEMBL2669390 0.83 GABRG2 (0.40) MAPK1PIK3CAALDH1A1
SCHEMBL4917158 0.83 MAPK1 (0.40) MAPK1PDE4AGRM5PIK3CAALDH1A1
SCHEMBL2669539 0.82 MAPK1 (0.36) MAPK1GRM5ALDH1A1GRM1ACVR1
SCHEMBL4916245 0.82 GABRG2 (0.37) MAPK1
SCHEMBL2660434 0.80 BMPR1A (0.38) PDE4AACVR1BMPR1AACVRL1
SCHEMBL2656099 0.80 PARP1 (0.35) MAPK1GRM5PIK3CAALDH1A1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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
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 3191/4885PDE4A 639/4885GRM5 222/4885

“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.

Send feedback