SCHEMBL214580

SCHEMBL214580

Cc1nc(NC(=O)c2c(C(N)=O)ncn2-c2ccc(OC3CCNCC3)cc2Cl)[nH]c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.39
HSP90AB1 P08238 5/20 0.39
CHEK2 O96017 1/20 0.37
WNT1 P04628 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
CSF1R P07333 2/20 0.34
FLT3 P36888 2/20 0.34
PAICS P22234 2/20 0.34
P2RX7 Q99572 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL216260 0.81 CHEK2 (0.35) TOP2AHSP90AB1CHEK2WNT1GSK3B
Hydrochloric Acid SCHEMBL216946 0.80 TOP2A (0.35) TOP2AHSP90AB1CHEK2WNT1GSK3B
SCHEMBL214823 0.78 CHEK2 (0.35) TOP2AHSP90AB1CHEK2WNT1GSK3B
Hydrochloric Acid SCHEMBL213800 0.77 CHEK2 (0.35) TOP2AHSP90AB1CHEK2WNT1GSK3B
SCHEMBL214470 0.77 KDM1A (0.44) TOP2AHSP90AB1CHEK2PAICS
Hydrochloric Acid SCHEMBL213798 0.76 KDM1A (0.43) TOP2AHSP90AB1CHEK2PAICS
SCHEMBL214581 0.76 TOP2A (0.43) TOP2AHSP90AB1
SCHEMBL214720 0.74 HCAR1 (0.35)
SCHEMBL214143 0.73 KDM1A (0.42) TOP2AHSP90AB1CHEK2WNT1GSK3B
SCHEMBL214697 0.73 KDM1A (0.42) CHEK2WNT1GSK3BDYRK1A

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 4 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 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 1319/4885CHEK2 412/4885

“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.