SCHEMBL4429404

SCHEMBL4429404

Cn1c(N)c(N)c2cc3cc[nH]c3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
CSNK2A1 P68400 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL4427678 0.84 TYR (0.39) BACE1GPR84PIK3CDABL1EGFR
SCHEMBL4426153 0.84 TYR (0.39) BACE1GPR84PIK3CDABL1EGFR
SCHEMBL4426680 0.73 GPR84 (0.40) BACE1GPR84PIK3CDABL1EGFR
SCHEMBL4420047 0.70 PRKCI (0.49) ABL1EGFRSRCPIK3CBCYP2A6
SCHEMBL4424838 0.68 DYRK1A (0.35) CYP2A6
SCHEMBL4430668 0.67 TYR (0.43) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL2530865 0.65 GPR84 (0.67) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL3131647 0.64 GPR84 (0.54) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL31481612 0.64 GPR84 (0.54) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL19879938 0.63 BRD4 (0.46) GPR84PIK3CBCSNK2A1MEN1POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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 (2 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 BACE1 3534/4885GPR84 3974/4885PIK3CD 2279/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 BACE1 3534/4885GPR84 3974/4885PIK3CD 2279/4885

“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.