SCHEMBL4954101

SCHEMBL4954101

Cc1cc(N)c2ncn(N)c2c1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.32
UHRF1 Q96T88 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KMT2A Q03164 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
SCHEMBL4956080 0.85 CYP3A4 (0.37) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL4949262 0.80 SMN1; SMN2 (0.38) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL4955645 0.75 SMN1; SMN2 (0.39) ALDH1A1TDP1SMN1; SMN2LMNAMEN1
SCHEMBL4953265 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4956680 0.69 SMN1; SMN2 (0.38) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL4953437 0.63 CYP3A4 (0.32) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL3210027 0.61 ALDH1A1 (0.55) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL4402905 0.60 ADORA2A (0.39) TP53POLBLMNA
SCHEMBL21608524 0.59 SMN1; SMN2 (0.46) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL4952536 0.59 CYP3A4 (0.32) CYP3A4TSHRALDH1A1TDP1TP53

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
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C CYP3A4 372/4885TSHR 4818/4885ALDH1A1 510/4885

“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.