SCHEMBL5039744

SCHEMBL5039744

Cc1nc2c(cc(C)n2C)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DHFR P00374 1/20 0.31

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
SCHEMBL13916682 0.69 KDM4E (0.69) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL5039837 0.68 CASP1 (0.38) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL19267556 0.67 KDM4E (0.45) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL13916685 0.67 KDM4E (0.67) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL5035931 0.67 KDM4E (0.41) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL15233270 0.65 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL13827865 0.65 TSHR (0.38) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL862261 0.64 KDM4E (0.62) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL521102 0.63 KDM4E (0.55) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL297992 0.63 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM4E 1003/4885ALDH1A1 492/4885LMNA 351/4885

“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.