SCHEMBL4418708

SCHEMBL4418708

Nc1cc2ccsc2c2sccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.36
TERT O14746 1/20 0.33
CHEK1 O14757 2/20 0.32
AURKA O14965 2/20 0.32
DAPK3 O43293 2/20 0.32
JAK2 O60674 2/20 0.32
ABL1 P00519 2/20 0.32
NTRK1 P04629 2/20 0.32
CSF1R P07333 2/20 0.32
RET P07949 2/20 0.32
IGF1R P08069 2/20 0.32
PDGFRB P09619 2/20 0.32
PIM1 P11309 2/20 0.32
FGFR1 P11362 2/20 0.32
PRKACA P17612 2/20 0.32
KDR P35968 2/20 0.32
MAP2K2 P36507 2/20 0.32
FLT3 P36888 2/20 0.32
MAPK8 P45983 2/20 0.32
CSNK1A1 P48729 2/20 0.32

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
SCHEMBL4429340 0.75 CYP2A6 (0.32) DYRK1ACYP2A6
SCHEMBL22504301 0.74 MAPT (0.36) CYP2A6
SCHEMBL4420548 0.74 TRPM4 (0.35) CYP2A6NEK1
SCHEMBL4420625 0.74 CSNK2A1 (0.32) DYRK1ACHEK1AURKADAPK3JAK2
SCHEMBL4430227 0.74 ADORA2A (0.35) ADORA2A
SCHEMBL4421176 0.71 DYRK1A (0.37) DYRK1ATERTCHEK1AURKADAPK3
SCHEMBL10085119 0.71 TERT (0.48) DYRK1ATERTCHEK1AURKADAPK3
SCHEMBL12275227 0.69 DYRK1A (0.33) DYRK1ATERTCYP2A6
SCHEMBL15790579 0.68 DHODH (0.44) PIM1
SCHEMBL24521807 0.68 TDP1 (0.38) DYRK1ACYP2A6

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 DYRK1A 2218/4885TERT 616/4885CHEK1 609/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 DYRK1A 2218/4885TERT 616/4885CHEK1 609/4885

“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.