SCHEMBL3877406

SCHEMBL3877406

CN(CC(O)CO)c1ccc(N)c2c1c1ccccc1n2CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
DNM1 Q05193 3/20 0.39
MYLK Q15746 2/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
PER2 O15055 5/20 0.35
CRY1 Q16526 4/20 0.35
CRY2 Q49AN0 4/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 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
SCHEMBL3887831 0.89 DNM1 (0.34) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL3873865 0.88 CDK4 (0.43) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL3876710 0.85 MAPT (0.39) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL3873164 0.81 CDK4 (0.43) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL3882792 0.78 MAPT (0.37) CDK4CCND1TSHRKDM4EALDH1A1
SCHEMBL3878062 0.77 POLB (0.43) CDK4CCND1TSHRKDM4EALDH1A1
SCHEMBL3882386 0.76 PABPC1 (0.38) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL3880747 0.73 POLB (0.35) DNM1TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL3882254 0.72 CDK4 (0.41) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL3879331 0.71 CYP17A1 (0.36) GAAHTT

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 694/4885CCND1 1792/4885PRKACA 1460/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CDK4 694/4885CCND1 1792/4885PRKACA 1460/4885

“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.