SCHEMBL3418501

SCHEMBL3418501

Cc1cc(N)n2nc(C)c(C#N)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 9/20 0.61
HPGD P15428 6/20 0.61
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.49
GPR55 Q9Y2T6 1/20 0.46
HSD17B10 Q99714 3/20 0.42
NTRK1 P04629 4/20 0.41
PIM1 P11309 4/20 0.41
ACVR1 Q04771 3/20 0.41
PTK2 Q05397 1/20 0.41
PIK3CG P48736 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8768671 0.85 KDM4E (0.66) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3419186 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL126427 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9728952 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10780306 0.75 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL12398530 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31277886 0.73 KDM4E (0.58) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31278019 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL24225890 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29266765 0.71 MAPT (0.38) KDM4EALDH1A1HPGDMEN1KMT2A

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-7985288-B2 Colorant compound and ink including the colorant compound CANON KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
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
US-20100089285-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-04-15 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 KDM4E 1199/4885ALDH1A1 159/4885HPGD 1229/4885

“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.