SCHEMBL5046260

SCHEMBL5046260

Nc1cn2nc(N)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EGFR P00533 2/20 0.37
ALOX15 P16050 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL31167832 0.81 SMN1; SMN2 (0.44) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5040153 0.79 TP53 (0.36) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31229171 0.75 TP53 (0.39) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31167907 0.74 F2RL3 (0.36) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31167780 0.69 TP53 (0.33) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31167876 0.68 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31167970 0.67 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2252326 0.67
SCHEMBL13075445 0.63 TP53 (0.36) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12566976 0.60 PIK3CG (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP claimed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US claimed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US claimed
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US disclosed
EP-1744720-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-24 EP disclosed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed
WO-2005079735-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-01 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-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, JUP, CKMT1A; CKMT1B TP53 921/4885NPC1 4827/4885RAB9A 4007/4885

“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.