SCHEMBL6519489

SCHEMBL6519489

O=c1[nH]c2nccc(N(C3=COCO3)c3cccc(Cl)c3)c2c2ccc(OCCN3CCOCC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.40
PARP1 P09874 1/20 0.39
AVPR1B P47901 6/20 0.38
ACHE P22303 1/20 0.38
DRD2 P14416 1/20 0.37
KDR P35968 2/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FLT3 P36888 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL6517749 0.81 AURKA (0.45) PARP1FGFR1AURKAAURKB
SCHEMBL6523250 0.79 EGFR (0.35) KDM4ETP53KDRALDH1A1AURKA
SCHEMBL6523005 0.77 MAOA (0.53) KDM4ETP53TSHRMAOAPARP1
SCHEMBL6521071 0.73 SIGMAR1 (0.54) KDM4EMAOAPARP1ACHEALDH1A1
SCHEMBL6519482 0.70 SRC (0.57) KDM4EMAOAPARP1KDRPDGFRB
SCHEMBL15260226 0.61 KDM4E (0.66) KDM4ETP53TSHRMAOAFGFR1
SCHEMBL21676466 0.61 PARP1 (0.62) KDM4EMAOAPARP1DRD2KDR
SCHEMBL31240661 0.61 CAMKK2 (0.51) KDM4ETP53TSHRMAOADRD2
Hydrochloric Acid SCHEMBL31070034 0.60 MAOA (0.69) KDM4ETSHRMAOAPARP1PDGFRB
SCHEMBL29992512 0.60 MAOA (0.55) KDM4EMAOAPARP1ACHEKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 KDM4E 1872/4885TP53 943/4885TSHR 2076/4885

“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.