SCHEMBL2658389

SCHEMBL2658389

CCCN1Cc2nc3c(-c4cccnc4F)cccc3c(N)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 2/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ BACE1 P56817 8/20 0.35
▸ BACE2 Q9Y5Z0 7/20 0.35
▸ CTSD P07339 6/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ GABRG2 P18507 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
SCHEMBL4919219 0.91 HTT (0.36) GRM1GRM5LMNAPARP1HTT
SCHEMBL4921028 0.88 LMNA (0.36) GRM1GRM5LMNAPARP1HTT
SCHEMBL2661191 0.87 LMNA (0.35) GRM1GRM5LMNAPARP1HTT
SCHEMBL2660573 0.87 LMNA (0.34) GRM1GRM5LMNAPARP1HTT
SCHEMBL4920766 0.87 NPC1 (0.38) LMNAPARP1HTTPARP2NPC1
SCHEMBL4922433 0.87 PIK3CA (0.36) LMNAPARP1HTTPARP2NPC1
SCHEMBL2658433 0.86 LMNA (0.38) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660737 0.84 ENPP1 (0.38) LMNAPARP1HTTPARP2ADORA2A
SCHEMBL2660780 0.84 GABRG2 (0.42) LMNAPARP1HTTPARP2SMN1; SMN2
SCHEMBL2661271 0.83 LMNA (0.35) GRM5LMNAPARP1HTTPARP2

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 GRM1 138/4885GRM5 222/4885LMNA 1909/4885

“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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