SCHEMBL2661432

SCHEMBL2661432

Cc1nc(Cl)ccc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ NPY1R P25929 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ MAOA P21397 2/20 0.31
▸ DHFR P00374 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL2662121 0.86 MAPK1 (0.34) MAPK1NPY1RNPY5RMAOAPARP2
SCHEMBL4923597 0.85 MAPK1 (0.35) MAPK1PIK3CANPY1RNPY5RGRM5
SCHEMBL4924467 0.84 HRH4 (0.41) MAPK1NPY1RNPY5RMAOAPARP2
SCHEMBL2669400 0.83 PIK3CA (0.35) PIK3CANPY1RNPY5RMAOAGRM5
SCHEMBL2661112 0.83 BMPR1A (0.32) MAPK1PIK3CANPY1RNPY5RACHE
SCHEMBL2656990 0.82 MAPK1 (0.39) MAPK1NPY1RNPY5RMAOAPARP2
SCHEMBL2660762 0.82 HTT (0.35) MAPK1PARP2
SCHEMBL2660942 0.81 MAPK1 (0.35) MAPK1ACHEGRM5
SCHEMBL2661944 0.81 MAPK1 (0.47) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2669595 0.81 MAPK1 (0.47) MAPK1NPY1RNPY5RCHRNB2CHRNA4

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
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO 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
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 3191/4885PIK3CA 3396/4885NPY1R 126/4885

“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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