SCHEMBL2669539

SCHEMBL2669539

Nc1c2c(nc3c(-c4nccnc4F)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ ACVR1 Q04771 4/20 0.32
▸ BMPR1A P36894 3/20 0.32
▸ ACVRL1 P37023 3/20 0.32
▸ GRM5 P41594 3/20 0.31
▸ ATR Q13535 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ MAOA P21397 2/20 0.30
▸ PARP2 Q9UGN5 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK10 P53779 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
SCHEMBL4917158 0.90 MAPK1 (0.40) MAPK1ALDH1A1CDK4POLBPARP1
SCHEMBL2669424 0.89 MAPK1 (0.36) MAPK1ALDH1A1CDK4POLBPARP1
SCHEMBL2656099 0.85 PARP1 (0.35) MAPK1ALDH1A1CDK4POLBPARP1
SCHEMBL2660877 0.84 MAPK1 (0.43) MAPK1ALDH1A1CDK4POLBPARP1
SCHEMBL4921007 0.83 MAPK1 (0.36) MAPK1CDK4POLBPARP1HTT
SCHEMBL4924879 0.83 TSHR (0.35) MAPK1CDK4POLBPARP1HTT
SCHEMBL2669394 0.82 GRM5 (0.36) MAPK1ALDH1A1CDK4POLBPARP1
SCHEMBL4920996 0.82 MAPK1 (0.37) MAPK1CDK4POLBPARP1HTT
SCHEMBL2669396 0.82 PARP1 (0.35) MAPK1CDK4POLBPARP1HTT
SCHEMBL2661491 0.82 MAPK1 (0.35) MAPK1ALDH1A1CDK4POLBPARP1

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 5 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
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

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 3191/4885ALDH1A1 442/4885CDK4 1267/4885

“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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