SCHEMBL2655918

SCHEMBL2655918

COc1ncncc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 3/20 0.36
▸ GABRB3 P28472 3/20 0.36
▸ GABRA2 P47869 3/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ ACVR1 Q04771 5/20 0.33
▸ TNF P01375 5/20 0.33
▸ LITAF Q99732 5/20 0.33
▸ BMPR1A P36894 4/20 0.33
▸ ACVRL1 P37023 4/20 0.33
▸ POLB P06746 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ ABL2 P42684 1/20 0.30
▸ TSHR P16473 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
SCHEMBL2658060 0.89 PIK3CA (0.45) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2657116 0.89 GABRG2 (0.44) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL4923077 0.88 GABRG2 (0.40) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2660827 0.87 PIK3CA (0.47) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2659508 0.87 GABRG2 (0.44) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2660996 0.85 PIK3CA (0.42) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2669397 0.85 GABRG2 (0.38) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2661545 0.85 GABRG2 (0.45) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4911805 0.85 BRD9 (0.40) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL4921275 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R

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 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.

Send feedback