SCHEMBL2669397

SCHEMBL2669397

COc1cc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(OC)nn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 4/20 0.38
▸ GABRB3 P28472 4/20 0.38
▸ GABRA2 P47869 4/20 0.38
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ POLB P06746 4/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ GRM5 P41594 2/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 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
SCHEMBL4911805 0.88 BRD9 (0.40) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4923077 0.87 GABRG2 (0.40) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2659060 0.87 PIK3CA (0.35) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2662112 0.86 PIK3CA (0.35) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2659903 0.86 BRD9 (0.40) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2655918 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2658060 0.85 PIK3CA (0.45) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2657116 0.84 GABRG2 (0.44) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2661260 0.84 PIK3CA (0.36) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669400 0.84 PIK3CA (0.35) NPY1RNPY5RPOLBPIK3CAMTOR

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 GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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