SCHEMBL2669424

SCHEMBL2669424

Nc1c2c(nc3c(-c4cccnc4F)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ GRM5 P41594 4/20 0.36
▸ GRM1 Q13255 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 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
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA6 Q15825 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ PDE4A P27815 4/20 0.32
▸ ACVR1 Q04771 2/20 0.32
▸ BMPR1A P36894 1/20 0.32

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
SCHEMBL2669539 0.89 MAPK1 (0.36) MAPK1GRM5GRM1ALDH1A1POLB
SCHEMBL2661936 0.89 MAPK1 (0.35) MAPK1GRM5GRM1ALDH1A1PIK3CA
SCHEMBL4917158 0.89 MAPK1 (0.40) MAPK1GRM5ALDH1A1PIK3CAPOLB
SCHEMBL4921007 0.88 MAPK1 (0.36) MAPK1GRM5GRM1POLBPARP1
SCHEMBL2656099 0.88 PARP1 (0.35) MAPK1GRM5ALDH1A1PIK3CAPOLB
SCHEMBL2660877 0.87 MAPK1 (0.43) MAPK1GRM5ALDH1A1POLBPARP1
SCHEMBL2661491 0.87 MAPK1 (0.35) MAPK1GRM5ALDH1A1POLBPARP1
SCHEMBL2658060 0.86 PIK3CA (0.45) ALDH1A1PIK3CAPDE4AACVR1BMPR1A
SCHEMBL2669394 0.85 GRM5 (0.36) MAPK1GRM5ALDH1A1PIK3CAPOLB
SCHEMBL2660827 0.84 PIK3CA (0.47) ALDH1A1PIK3CAPOLBPARP1HTT

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 3191/4885GRM5 222/4885GRM1 138/4885

“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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