SCHEMBL5489838

SCHEMBL5489838

Nc1ncn2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
DYRK1A Q13627 1/20 0.37
AMY1A P0DUB6 1/20 0.33
EGFR P00533 1/20 0.33
ROCK1 Q13464 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BACE1 P56817 1/20 0.31
RPS6KA5 O75582 1/20 0.31
SMPD3 Q9NY59 1/20 0.31

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
SCHEMBL2736664 0.74 DYRK1A (0.36) MAP4K4NOS3NOS1NOS2DYRK1A
SCHEMBL24984429 0.71 PDE5A (0.35) MAP4K4DYRK1AMKNK2CDK2ALDH1A1
SCHEMBL400396 0.70 MAP4K4 (0.57) MAP4K4NOS3NOS1NOS2DYRK1A
SCHEMBL12604016 0.69 ALDH1A1 (0.32) CDK2ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL13377386 0.68 HTT (0.37) DYRK1AALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL58274 0.68 MAP4K4 (1.00) MAP4K4EGFRALDH1A1HTTSMPD3
SCHEMBL400496 0.68 MAP4K4 (0.37) MAP4K4HTT
SCHEMBL5495340 0.68 MAP4K4 (0.33) MAP4K4
Hydrochloric Acid SCHEMBL15019896 0.67 MAP4K4 (0.96) MAP4K4EGFRALDH1A1HTT
Hydrochloric Acid SCHEMBL30590600 0.67 MAP4K4 (0.96) MAP4K4EGFRALDH1A1HTT

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 MAP4K4 714/4885NOS3 442/4885NOS1 498/4885

“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.