SCHEMBL5489311

SCHEMBL5489311

Nc1cnn2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.42
EPHB3 P54753 1/20 0.37
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
GAA P10253 1/20 0.31
AXL P30530 1/20 0.31
MAP4K4 O95819 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL5495764 0.74 EPHB3 (0.40) EPHB3GAA
SCHEMBL21863673 0.74 EPHB3 (0.40) EPHB3
SCHEMBL84318 0.74 EPHB3 (0.37) EPHB3GAA
SCHEMBL1693785 0.74 AXL (0.42) EPHB3GAAAXL
Hydrochloric Acid SCHEMBL21407567 0.72 AOC1 (0.40) EPHB3
SCHEMBL12067334 0.71 EPHB3 (0.45) EPHB3
SCHEMBL1693953 0.71 CDK2 (0.49) EPHB3CDK2
SCHEMBL12454278 0.69 EPHB3 (0.38) EPHB3CDK2
SCHEMBL31276679 0.69 EPHB3 (0.38) EPHB3
SCHEMBL12453348 0.69 EPHB3 (0.35) EPHB3

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-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 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-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP SMPD3 4766/4885EPHB3 2708/4885CDC7 1817/4885

“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.