SCHEMBL3882254

SCHEMBL3882254

Cc1cc(N(C)CC(O)CO)c2c(c1N)c1ccccc1n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.41
PRKACA P17612 2/20 0.41
PRKACG P22612 2/20 0.41
PRKACB P22694 2/20 0.41
CCND1 P24385 2/20 0.41
MYLK Q15746 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.38
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
DNM1 Q05193 2/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL3879633 0.89 KDM4E (0.37) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL3882537 0.84 KDM4E (0.43) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL3873164 0.83 CDK4 (0.43) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL3873865 0.81 CDK4 (0.43) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL3874922 0.78 KDM4E (0.43) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL3876649 0.76 MEN1 (0.39) CDK4CCND1MAPTKDM4EGABRP
SCHEMBL3885259 0.76 MAPT (0.39) CDK4CCND1MAPTKDM4EGABRP
SCHEMBL3882573 0.75 ALDH1A1 (0.33) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL3874513 0.75 MKNK1 (0.35) MAPTKDM4EALDH1A1GAANPSR1
SCHEMBL3885319 0.72 MKNK1 (0.35) MAPTKDM4EALDH1A1GAA

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 CDK4 694/4885PRKACA 1460/4885PRKACG 1247/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CDK4 694/4885PRKACA 1460/4885PRKACG 1247/4885

“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.