SCHEMBL12398406

SCHEMBL12398406

CCOc1n[nH]c(N)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ AKT2 P31751 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TTK P33981 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ RPS6KA5 O75582 1/20 0.41
▸ CDK1 P06493 1/20 0.41

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
SCHEMBL20837290 0.83 NFKB1 (0.43) NFKB1NFKB2RELAAKT2KMT2A
SCHEMBL3260006 0.82 CHEK1 (0.56) AKT2KMT2ATTKCNR1CNR2
SCHEMBL3261776 0.82 MAPK1 (0.50) AKT2KMT2ATTKCNR1CNR2
SCHEMBL20836992 0.81 AKT2 (0.47) NFKB1NFKB2RELAAKT2KMT2A
SCHEMBL20837277 0.81 PTGDR2 (0.44) NFKB1NFKB2RELAAKT2KMT2A
SCHEMBL13495080 0.77 L3MBTL1 (0.55) AKT2KMT2ATTKCNR1CNR2
SCHEMBL3390203 0.75 MAPK1 (0.43) KMT2ATTKCNR1CNR2GPR55
SCHEMBL13516192 0.75 DHFR (0.51) NFKB1NFKB2RELAAKT2KMT2A
SCHEMBL3260077 0.72 TTK (0.42) KMT2ATTKCNR1CNR2GPR55
SCHEMBL1057636 0.72 AKT2 (0.66) NFKB1NFKB2RELAAKT2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985288-B2 Colorant compound and ink including the colorant compound CANON KABUSHIKI KAISHA (JP) 2011-07-26 — — US disclosed
US-20100089285-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-04-15 — — 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-20100089285-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND TYR, CCNL2, RB1 NFKB1 3585/4885NFKB2 3206/4885RELA 3483/4885

“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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