SCHEMBL4953258

SCHEMBL4953258

CC(C)Nn1ccc2cc(N)c(N)cc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
HTR2C P28335 7/20 0.32
HTR2A P28223 6/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL4953087 0.87 ALDH1A1 (0.35) PRKCIPIK3CB
SCHEMBL4951929 0.87 ALDH1A1 (0.35) PRKCIPIK3CB
SCHEMBL4949656 0.81 PRKCI (0.41) PRKCIHTR2CHTR2A
SCHEMBL4949682 0.79 PRKCI (0.37) PRKCIPIK3CB
SCHEMBL4952790 0.79 ACHE (0.34) HTR2A
SCHEMBL4953330 0.75 PRKCI (0.34) PRKCIHTR2CHTR2APIK3CB
SCHEMBL4955673 0.74 HTR2C (0.38) HTR2CHTR2A
SCHEMBL4955121 0.70 CYP3A4 (0.35) HTR2CHTR2A
SCHEMBL4955594 0.70 HTR2A (0.33) HTR2CHTR2A
SCHEMBL4952612 0.69 CYP2D6 (0.32)

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 4 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
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 PRKCI 916/4885HTR2C 2099/4885HTR2A 3351/4885

“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.