SCHEMBL6791108

SCHEMBL6791108

COc1cccc(C(Cl)c2ccnc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42
IRAK1 P51617 1/20 0.42
NEK4 P51957 1/20 0.42
LIMK1 P53667 1/20 0.42
ACVR1 Q04771 1/20 0.42
TNK2 Q07912 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL6791147 0.85 KDM4A (0.51) KDM4AKDM4CDYRK1ACLK4DYRK3
SCHEMBL6795411 0.79 SLC6A4 (0.47) LMNANPC1RAB9ASMN1; SMN2MGAM
SCHEMBL17842130 0.73 DYRK1A (0.45) DYRK1ACLK4NPC1RAB9ASMN1; SMN2
SCHEMBL29518433 0.73 DYRK1A (0.45) DYRK1ACLK4NPC1RAB9ASMN1; SMN2
SCHEMBL952823 0.73 CASR (0.51) SMN1; SMN2CYP3A4
SCHEMBL14034247 0.73 CNR1 (0.43) MAPK14LMNARAB9ACYP1A2CYP3A4
SCHEMBL2461168 0.73 CASR (0.61) DYRK1ACLK4DYRK3MAP4K4EGFR
SCHEMBL6795819 0.72 PDGFRB (0.44) DYRK1ACLK4PDGFRAHTTNPC1
SCHEMBL7454814 0.71 EGFR (0.56) EGFRPDGFRAKDRAURKBLMNA
SCHEMBL27290306 0.71 CLK4 (0.53) DYRK1ACLK4MAP4K4KDRACVR1

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 4622/4885DYRK1A 4445/4885

“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.