SCHEMBL5037244

SCHEMBL5037244

CCNc1nc2[nH]c(N)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
BCHE P06276 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC4 Q9UBN4 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
RIPK1 Q13546 2/20 0.34
PNP P00491 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
BACE1 P56817 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
SCHEMBL5039423 0.79 MMP12 (0.37) PNPEHMT2LMNAALDH1A1HPGD
SCHEMBL5039453 0.79 ALDH1A1 (0.47) POLBMEN1KMT2ABCHETRPC3
SCHEMBL5035982 0.71 HTT (0.34) HTTPOLBMEN1KMT2AKDM4C
SCHEMBL5036544 0.71 HTT (0.34) HTTPOLBMEN1KMT2AKDM4C
SCHEMBL5040817 0.70 PNP (0.53) MEN1KMT2APNPMAPTLMNA
SCHEMBL16671940 0.68 MEN1 (0.50) HTTPOLBMEN1KMT2AKDM4C
SCHEMBL5036918 0.68 MAPT (0.45) POLBMEN1KMT2APNPMAPT
SCHEMBL5044377 0.67 PNP (0.38) PNPEHMT2LMNAALDH1A1HPGD
SCHEMBL5046564 0.67 BCHE (0.46) MEN1KMT2ABCHEMAPTRAB9A
SCHEMBL31265260 0.67 GAA (0.57) HTTRAB9AGAA

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 HTT 2883/4885POLB 1157/4885MEN1 4806/4885

“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.