SCHEMBL213660

SCHEMBL213660

Cc1ccc(Br)cc1-n1cnc(C(=O)Nc2nc3cccc(OC4CCNCC4)c3[nH]2)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.35
HSP90AB1 P08238 6/20 0.35
MKNK1 Q9BUB5 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ABL1 P00519 1/20 0.31
MTOR P42345 1/20 0.31
PARP1 P09874 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL215858 0.94 TOP2A (0.35) TOP2AHSP90AB1MKNK1RAB9AMEN1
SCHEMBL216161 0.87 NEK2 (0.33) HSP90AB1RAB9AMEN1NPC1KMT2A
SCHEMBL214751 0.85 BTK (0.38) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL214572 0.81 BTK (0.42) MEN1KMT2AMAPT
SCHEMBL214823 0.80 CHEK2 (0.35) TOP2AHSP90AB1RAB9AMEN1NPC1
Hydrochloric Acid SCHEMBL213800 0.79 CHEK2 (0.35) TOP2AHSP90AB1RAB9AMEN1NPC1
SCHEMBL214637 0.79 MAOB (0.49) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL2735383 0.78 TOP2A (0.42) TOP2AHSP90AB1MEN1KMT2AKDM4E
SCHEMBL215859 0.78 TOP2A (0.42) TOP2AHSP90AB1MEN1KMT2AKDM4E
SCHEMBL4104868 0.77 RAB9A (0.37) RAB9AMEN1NPC1KMT2AKDM4E

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 TOP2A 1957/4885HSP90AB1 1319/4885MKNK1 252/4885

“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.