SCHEMBL6791147

SCHEMBL6791147

COc1cccc(C(O)c2ccnc3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
PKM P14618 1/20 0.44
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
CDK8 P49336 1/20 0.43
CDK7 P50613 1/20 0.43
IRAK1 P51617 1/20 0.43
NEK4 P51957 1/20 0.43
LIMK1 P53667 1/20 0.43
ACVR1 Q04771 1/20 0.43
TNK2 Q07912 1/20 0.43
DYRK1A Q13627 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL6791108 0.85 KDM4A (0.42) KDM4AKDM4CDYRK3MAP4K4EGFR
SCHEMBL6797799 0.80 SLC6A2 (0.47) PKMLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9034429 0.78 HTT (0.48) EGFRHTTLMNANPC1RAB9A
SCHEMBL2093768 0.75 AOC3 (0.59) PKMNPC1RAB9AAOC3BRD4
SCHEMBL8756705 0.75 AOC3 (0.49) PKMAOC3L3MBTL1
SCHEMBL477338 0.74 AOC3 (0.54) PKMAOC3BRD4L3MBTL1
SCHEMBL27686957 0.74 AOC3 (0.54) PKMAOC3BRD4L3MBTL1
SCHEMBL27560395 0.74 PKM (0.44) KDM4AKDM4CPKMDYRK1ACLK4
SCHEMBL5366135 0.74 FAAH (0.51) KDM4AKDM4CPKMDYRK1ACLK4
SCHEMBL197821 0.74 HTR1A (0.45) MAP4K4KDRIRAK1NEK4DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP 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-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 KDM4A 4434/4885KDM4C 4622/4885PKM 1301/4885

“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.