SCHEMBL1336736

SCHEMBL1336736

Fc1cc(-c2cccc3cc(-c4ccnc(Cl)n4)sc23)c(CN2CCOCC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
METAP2 P50579 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
MCHR1 Q99705 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
CYP2A13 Q16696 4/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2875961 0.87 JAK2 (0.38) JAK2JAK1TYK2JAK3MCHR1
SCHEMBL1336798 0.81 BRAF (0.38)
SCHEMBL2876823 0.80 CYP1A2 (0.32) MCHR1PDCD1CD274ALDH1A1
SCHEMBL27776237 0.78 ADORA2A (0.38) JAK2JAK1TYK2JAK3MCHR1
SCHEMBL2878614 0.78 JAK2 (0.37) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL2870902 0.77 MAPK14 (0.34)
SCHEMBL1338078 0.77 CYP2A13 (0.40) JAK2JAK1TYK2JAK3MCHR1
SCHEMBL27886176 0.73 GCKR (0.30)
SCHEMBL1336777 0.73 ADORA2A (0.35) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL27776244 0.71 MAPK14 (0.34) JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
EP-2125794-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP disclosed
WO-2008076705-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 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-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B JAK2 1281/4885JAK1 546/4885TYK2 2378/4885

“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.