SCHEMBL4084455

SCHEMBL4084455

Clc1cc(-c2cc3nccn3c(Cl)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
PRKCD Q05655 2/20 0.38
PRKCA P17252 1/20 0.38
PRKD1 Q15139 1/20 0.38
CYP19A1 P11511 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 1/20 0.34
DYRK1A Q13627 2/20 0.33
SYK P43405 5/20 0.33
MAP4K4 O95819 3/20 0.33
MAP4K2 Q12851 3/20 0.33
PKN2 Q16513 2/20 0.33
AURKB Q96GD4 2/20 0.33
SLK Q9H2G2 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 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
SCHEMBL4090845 0.85 IDO1 (0.40) IDO1PRKCDPRKCAPRKD1CYP19A1
SCHEMBL2575320 0.80 IDO1 (0.43) IDO1
SCHEMBL6495343 0.76 SYK (0.55) PRKCDDYRK1ASYKMAP4K4MAP4K2
SCHEMBL2571757 0.75 PDE10A (0.33) CDK8ADORA2ADYRK1AMAP4K4MAP4K2
SCHEMBL2553734 0.72 FGFR3 (0.45) ADORA2AJAK2KDRMETMAPK1
SCHEMBL2553234 0.72 XDH (0.46) SYKJAK2KDRMAPK1MAPKAPK2
SCHEMBL3599775 0.72 EGLN2 (0.51)
SCHEMBL4091101 0.71 GSK3B (0.34) PRKCDPRKCAPRKD1GSK3B
SCHEMBL2576052 0.70 DRD4 (0.42) SYKAURKBFLT3
SCHEMBL83555 0.70 GSK3B (0.49) IDO1PRKCDPRKCAPRKD1CYP19A1

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-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-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-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
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 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 IDO1 105/4885PRKCD 30/4885PRKCA 33/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IDO1 66/4885PRKCD 33/4885PRKCA 32/4885

“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.