SCHEMBL6758581

SCHEMBL6758581

N#CC(C#N)=Cc1c[nH]c2ncccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.66
APP P05067 3/20 0.59
KMT2A Q03164 2/20 0.58
LRRK2 Q5S007 1/20 0.54
KIF20A O95235 2/20 0.53
CLK1 P49759 1/20 0.53
CLK2 P49760 1/20 0.53
CDK5 Q00535 1/20 0.53
DYRK1A Q13627 1/20 0.53
CDK5R1 Q15078 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
NEK2 P51955 3/20 0.47
PLK1 P53350 1/20 0.47
AXL P30530 1/20 0.46
SNCA P37840 2/20 0.45
GPR84 Q9NQS5 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13100670 0.85 CHEK1 (0.63) CHEK1APPKMT2ALRRK2KIF20A
SCHEMBL13100345 0.83 CHEK1 (0.60) CHEK1APPKMT2ALRRK2KIF20A
SCHEMBL29194854 0.82 CHEK1 (0.59) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL30845335 0.82 CHEK1 (0.59) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL6753356 0.81 NEK2 (0.68) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL6755673 0.81 CHEK1 (0.58) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL6753353 0.81 NEK2 (0.68) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL6755674 0.81 CHEK1 (0.58) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL7842449 0.80 CHEK1 (1.00) CHEK1KMT2ALRRK2KIF20ACLK1
SCHEMBL7841437 0.80 CHEK1 (1.00) CHEK1KMT2ALRRK2KIF20ACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737518-B1 REACTING 4,5-EPOXYMORPHINAN-6-OLS WITH BROMOGLUCURONIDES IN THE PRESENCE OF ZINC BROMIDE; DEPROTECTING END PRODUCTS TO MAKE MORPHINE-6-BETA-D-GLUCURONIDE (M6G) CENES LIMITED (GB) 2004-05-18 US claimed
US-20040053854-A1 Process for preparation of 4,5-Epoxymorphinan-6-oxyglucuronides CENES LIMITED (GB) 2004-03-18 US claimed
JP-3507497-B2 2004-03-15 JP claimed
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP claimed
EP-0626963-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-07 EP claimed
WO-1994014808-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1994-07-07 WO claimed
US-6737518-B1 REACTING 4,5-EPOXYMORPHINAN-6-OLS WITH BROMOGLUCURONIDES IN THE PRESENCE OF ZINC BROMIDE; DEPROTECTING END PRODUCTS TO MAKE MORPHINE-6-BETA-D-GLUCURONIDE (M6G) CENES LIMITED (GB) 2004-05-18 US disclosed
US-20040053854-A1 Process for preparation of 4,5-Epoxymorphinan-6-oxyglucuronides CENES LIMITED (GB) 2004-03-18 US disclosed
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP disclosed
US-5397787-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1995-03-14 US disclosed
EP-0626963-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-07 EP disclosed
WO-1994014808-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1994-07-07 WO 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-20040053854-A1 Process for preparation of 4,5-Epoxymorphinan-6-oxyglucuronides OGFR, OSTC, GALE CHEK1 4880/4885APP 4722/4885KMT2A 2856/4885

“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.