SCHEMBL4084091

SCHEMBL4084091

CSc1nc(NCCO)cc(-c2ccnc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
ROCK2 O75116 3/20 0.43
MAP4K4 O95819 3/20 0.43
GSK3B P49841 3/20 0.43
CDC7 O00311 2/20 0.43
PIM1 P11309 2/20 0.43
PRKACA P17612 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
KARS1 Q15046 1/20 0.42
PTGDR Q13258 1/20 0.41
MAPK14 Q16539 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
CDK1 P06493 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK4 P11802 1/20 0.39

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
SCHEMBL4091379 0.81 PTGDR (0.38) PTGDRMAPK14HRH4MAPTROCK1
SCHEMBL4084793 0.78 IDO1 (0.44) MAPK14HTTPRKCAPRKCDPRKD1
SCHEMBL3877330 0.78 CYP2D6 (0.59) CDK2ROCK2MAP4K4GSK3BCDC7
SCHEMBL4090582 0.77 PTGDR (0.38) CDK2ROCK2GSK3BCDC7PIM1
SCHEMBL4084553 0.75 IDO1 (0.42) MAPK14HTTPRKCAPRKCDPRKD1
SCHEMBL3879833 0.74 MAPK14 (0.49) PTGDRMAPK14MAPTLMNATP53
SCHEMBL19701004 0.73 NUDT1 (0.51) CDK2ROCK2MAP4K4GSK3BKARS1
SCHEMBL1424712 0.68 PRKCD (0.76) CDK2ROCK2MAP4K4GSK3BCDC7
SCHEMBL25699611 0.68 PIK3C3 (0.48) GSK3BMAPK14
SCHEMBL10878817 0.67 RECQL (0.50) MAPTHTTMEN1GAAKMT2A

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-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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 (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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 CDK2 443/4885ROCK2 411/4885MAP4K4 257/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 CDK2 497/4885ROCK2 452/4885MAP4K4 216/4885

“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.