SCHEMBL4949262

SCHEMBL4949262

Cc1cc(N)c2ncn(O)c2c1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
UHRF1 Q96T88 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
AHCY P23526 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
SCHEMBL4956680 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1TDP1MEN1
SCHEMBL4954101 0.80 CYP3A4 (0.37) SMN1; SMN2LMNAALDH1A1TDP1MEN1
SCHEMBL4956088 0.77 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1TDP1MEN1
SCHEMBL4951557 0.71 HSP90AA1 (0.33)
SCHEMBL4956080 0.69 CYP3A4 (0.37) SMN1; SMN2LMNAALDH1A1TDP1CYP3A4
SCHEMBL4952969 0.64 PKM (0.34) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL4949701 0.61 ALDH1A1 (0.31) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL4402905 0.59 ADORA2A (0.39) LMNATP53MAPT
SCHEMBL4953437 0.58 CYP3A4 (0.32) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL21608524 0.58 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1TDP1MEN1

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 SMN1; SMN2 4722/4885LMNA 593/4885ALDH1A1 510/4885

“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.