SCHEMBL4090845

SCHEMBL4090845

Oc1nc(-c2ccnc(Cl)c2)cc2nccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
PRKCD Q05655 2/20 0.36
PRKCA P17252 1/20 0.36
PRKD1 Q15139 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CYP19A1 P11511 1/20 0.34
MAP4K2 Q12851 5/20 0.34
SYK P43405 4/20 0.34
MAP4K4 O95819 2/20 0.34
PKN2 Q16513 2/20 0.34
AURKB Q96GD4 2/20 0.34
SLK Q9H2G2 2/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
ROS1 P08922 1/20 0.34

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
SCHEMBL4084455 0.85 IDO1 (0.42) IDO1PRKCDPRKCAPRKD1CCNC
SCHEMBL2571208 0.76 PDE10A (0.32) CDK8MAP4K2MAP4K4AURKBKDR
SCHEMBL6507335 0.74 SYK (0.58) PRKCDMAP4K2SYKMAP4K4PKN2
SCHEMBL3604219 0.73 EGLN2 (0.49) MAPTMEN1KMT2A
SCHEMBL24438190 0.70 FYN (0.43) AURKBAURKAJAK2KDRMET
SCHEMBL2573121 0.70 XDH (0.46) SYKJAK2KDRCDK1CDK2
SCHEMBL2570373 0.69 USP7 (0.45) SYK
SCHEMBL2571292 0.68 QDPR (0.44) SYKAURKBFLT3
SCHEMBL3194422 0.66 PIK3C3 (0.51) IDO1CCNCCDK8CYP19A1SRC
SCHEMBL2575320 0.66 IDO1 (0.43) IDO1MAPTMEN1KMT2A

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.