SCHEMBL216140

SCHEMBL216140

Cc1cc(OC2CCNCC2)ccc1NC(=O)c1ncn(-c2nc3ccc(Cl)cc3[nH]2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.41
TOP2A P11388 5/20 0.40
HSP90AB1 P08238 3/20 0.40
TP53 P04637 1/20 0.39
KDM1A O60341 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TRPC3 Q13507 1/20 0.35
MAPT P10636 2/20 0.35
IRAK1 P51617 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL215452 0.99 TOP2A (0.40) CHEK2TOP2AHSP90AB1TP53KDM1A
SCHEMBL215754 0.90 KDM1A (0.42) CHEK2TOP2AHSP90AB1TP53KDM1A
Hydrochloric Acid SCHEMBL213648 0.90 KDM1A (0.42) CHEK2TOP2AHSP90AB1TP53KDM1A
SCHEMBL214143 0.85 KDM1A (0.42) CHEK2TOP2AHSP90AB1TP53KDM1A
SCHEMBL216286 0.83 TOP2A (0.38) TOP2AHSP90AB1KDM1AWNT1GSK3B
SCHEMBL217126 0.80 MAPT (0.41) CHEK2TP53KDM1AMAPT
SCHEMBL214778 0.80 CHEK2 (0.47) CHEK2KDM1AMAPT
SCHEMBL214470 0.80 KDM1A (0.44) CHEK2TOP2AHSP90AB1KDM1AMAPT
SCHEMBL214697 0.79 KDM1A (0.42) CHEK2TP53KDM1AWNT1GSK3B
Hydrochloric Acid SCHEMBL213798 0.79 KDM1A (0.43) CHEK2TOP2AHSP90AB1KDM1AMAPT

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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

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 412/4885TOP2A 1957/4885HSP90AB1 1319/4885

“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.