SCHEMBL4955302

SCHEMBL4955302

CNn1ncc2cccc(N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.38
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP3A4 P08684 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LCK P06239 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
KEAP1 Q14145 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CA P42336 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
PRMT5 O14744 1/20 0.31
HTR3A P46098 1/20 0.30

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
SCHEMBL4954726 0.83 PDE10A (0.37) ADRA2AADRA2BADRA2CCYP3A4LMNA
SCHEMBL4956844 0.81 ADRA2A (0.36) ADRA2AADRA2BADRA2CCYP3A4LMNA
SCHEMBL4951884 0.79 KDM4E (0.39) ADRA2AADRA2BADRA2CCYP1A2TSHR
SCHEMBL4949669 0.78 ADRA2A (0.39) ADRA2AADRA2BADRA2CCYP3A4LMNA
SCHEMBL4956885 0.76 KDM4E (0.33) ADRA2AADRA2BADRA2CCYP3A4LMNA
SCHEMBL30007438 0.76 ADORA3 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL3364159 0.76 ADORA3 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4953980 0.74 GPR68 (0.37) CYP3A4LMNAALDH1A1TSHRHSD17B10
SCHEMBL4949702 0.74 MEN1 (0.32) KEAP1KMT2A
SCHEMBL4949270 0.73 CYP3A4 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9

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 ADRA2A 3939/4885ADRA2B 3839/4885ADRA2C 3055/4885

“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.