SCHEMBL2661894

SCHEMBL2661894

CCCCN1Cc2nc3c(-c4ccc(C)nc4)cccc3c(N)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.35
▸ LCK P06239 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ MAPK10 P53779 4/20 0.32
▸ JUN P05412 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ GRM5 P41594 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
SCHEMBL2657821 0.94 LMNA (0.38) HSP90AA1LCKBTKMAPK10JUN
SCHEMBL2661751 0.91 HSP90AA1 (0.37) HSP90AA1LCKBTKMAPK10JUN
SCHEMBL2660707 0.82 CRHR1 (0.41) MAPK10LMNAPARP1HTTPARP2
SCHEMBL2655841 0.82 DHPS (0.40) HSP90AA1LCKBTKLMNAPARP1
SCHEMBL2660988 0.81 MEN1 (0.40) KDM4EALDH1A1CRHR1
SCHEMBL4921479 0.81 PIK3CA (0.35) BTKPARP1PARP2GABRG2GABRB3
SCHEMBL4913959 0.80 GABRG2 (0.37) LCKBTKLMNAPARP1HTT
SCHEMBL2660713 0.80 HRH4 (0.42) LCKBTKMAPK10LMNAPARP1
SCHEMBL2657367 0.80 MTOR (0.38) LCKBTKMAPK10JUNGABRA1
SCHEMBL2661115 0.80 HTT (0.33) HSP90AA1LCKBTKLMNAPARP1

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 6 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
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 HSP90AA1 4097/4885LCK 4253/4885BTK 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