SCHEMBL2656785

SCHEMBL2656785

CCN1Cc2nc3c(-c4cccnc4OC)cccc3c(N)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.37
▸ PDE5A O76074 3/20 0.37
▸ BTK Q06187 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ RAD52 P43351 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ WDR5 P61964 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
SCHEMBL4922433 0.92 PIK3CA (0.36) PIK3CABTKMETAP2MTORNPC1
SCHEMBL4921479 0.91 PIK3CA (0.35) PIK3CABTKMETAP2MTORNPC1
SCHEMBL2656316 0.87 BRD9 (0.42) PDE5AMETAP2MAPTGABRG2GABRB3
SCHEMBL2655786 0.87 KDM4E (0.40) PIK3CAMAPTWDR5
SCHEMBL2656682 0.87 GABRG2 (0.36) PIK3CAPDE5ABTKMETAP2MTOR
SCHEMBL2661915 0.85 MEN1 (0.38) PIK3CAPDE5ATP53MAPTSMN1; SMN2
SCHEMBL4920766 0.85 NPC1 (0.38) METAP2NPC1TP53MAPTRAB9A
SCHEMBL2661396 0.84 PDE5A (0.43) PDE5AMAPTRAB9ASMN1; SMN2GABRG2
SCHEMBL2655253 0.84 HSP90AB1 (0.37) PDE5AGABRG2GABRB3GABRA2
SCHEMBL2660996 0.83 PIK3CA (0.42) PIK3CABTKMTORGABRG2GABRB3

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 9 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
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 PIK3CA 3396/4885PDE5A 742/4885BTK 2744/4885

“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