SCHEMBL4914788

SCHEMBL4914788

Nc1cnn(Nc2ccccc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 2/20 0.38
IDO1 P14902 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
RIPK2 O43353 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4913814 0.81 ATR (0.37) CYP1A2CYP2C9CYP2C19LMNATDP1
SCHEMBL4949669 0.74 ADRA2A (0.39) CYP1A2CYP2C9CYP2C19LMNATDP1
SCHEMBL4956108 0.74 MKNK1 (0.41) CYP1A2CYP2C9CYP2C19LMNATDP1
SCHEMBL4913710 0.73 APP (0.41) LMNACYP3A4IDO1ALDH1A1MAPT
SCHEMBL2946608 0.69 ADRA2A (0.55) CYP1A2ALDH1A1MEN1KMT2ANPC1
SCHEMBL4912714 0.69
SCHEMBL1753026 0.65 NPC1 (0.63) CYP1A2CYP2C9CYP2C19CYP3A4PTGS2
SCHEMBL4908806 0.64 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19LMNATDP1
Hydrochloric Acid SCHEMBL3034866 0.64 NPC1 (0.61) CYP1A2CYP2C9CYP2C19CYP3A4PTGS2
SCHEMBL4910322 0.64 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19LMNATDP1

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-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 CYP1A2 752/4885CYP2C9 846/4885CYP2C19 1616/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 CYP1A2 752/4885CYP2C9 846/4885CYP2C19 1616/4885

“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.