SCHEMBL216260

SCHEMBL216260

Cc1ccc(Cl)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OC3CCNCC3)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KLF5 Q13887 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TOP2A P11388 3/20 0.34
HSP90AB1 P08238 2/20 0.34
ACACB O00763 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
KDM1A O60341 2/20 0.34
BRAF P15056 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
IRAK1 P51617 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
Hydrochloric Acid SCHEMBL216946 0.99 TOP2A (0.35) CHEK2WNT1GSK3BDYRK1ANPC1
SCHEMBL214823 0.91 CHEK2 (0.35) CHEK2WNT1GSK3BDYRK1ANPC1
SCHEMBL214374 0.91 CHEK2 (0.39) CHEK2NPC1POLBRAB9AKLF5
Hydrochloric Acid SCHEMBL213800 0.91 CHEK2 (0.35) CHEK2WNT1GSK3BDYRK1ANPC1
Hydrochloric Acid SCHEMBL214582 0.90 CHEK2 (0.39) CHEK2NPC1POLBRAB9AKLF5
SCHEMBL214620 0.82 CHEK2 (0.39) CHEK2NPC1RAB9AKDM1A
Hydrochloric Acid SCHEMBL216277 0.82 CHEK2 (0.39) CHEK2NPC1RAB9AKDM1A
SCHEMBL214926 0.81 RAB9A (0.37) NPC1POLBRAB9AKLF5TDP1
SCHEMBL213237 0.81 RAB9A (0.43) NPC1POLBRAB9AKLF5IRAK4
SCHEMBL214580 0.81 TOP2A (0.39) CHEK2WNT1GSK3BDYRK1ATOP2A

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 6 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-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 CHEK2 412/4885WNT1 2193/4885GSK3B 175/4885

“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.