SCHEMBL2661531

SCHEMBL2661531

Nc1c2c(nc3c(-c4cccnc4)cccc13)CN(C1CC1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ DHPS P49366 3/20 0.37
▸ MYLK Q15746 4/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CDK19 Q9BWU1 1/20 0.34

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
SCHEMBL2657367 0.86 MTOR (0.38) MAPK10MAPK1PDE4A
SCHEMBL2669396 0.84 PARP1 (0.35) TSHRMAPK10PARP1PARP2MAPK1
SCHEMBL2661202 0.84 TSHR (0.35) TSHRMAPK10PARP1PARP2MAPK1
SCHEMBL2662058 0.82 GABRG2 (0.44) TSHRMAPK1
SCHEMBL2669594 0.82 BMPR1A (0.40) TSHRMAPK10PARP1HTT
SCHEMBL4924467 0.82 HRH4 (0.41) PARP1PARP2MAPK1PDE4AHTT
SCHEMBL2669534 0.81 LCK (0.46) TSHRMAPK10
SCHEMBL4924879 0.81 TSHR (0.35) TSHRMAPK10PARP1PARP2MAPK1
SCHEMBL2662522 0.81 MAPK1 (0.48) PARP1PARP2MAPK1ALDH1A1HTT
SCHEMBL2661944 0.80 MAPK1 (0.47) PARP1MAPK1PDE4AHTT

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 TSHR 265/4885MAPK10 4168/4885PARP1 1350/4885

“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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