SCHEMBL213794

SCHEMBL213794

Cc1cc(OC2CNC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.32
CHEK2 O96017 2/20 0.31
THRB P10828 1/20 0.31
REN P00797 1/20 0.31
CHEK1 O14757 2/20 0.31
BTK Q06187 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SYK P43405 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TSSK3 Q96PN8 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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 SCHEMBL215094 0.99 POLB (0.37) POLBTP53CHEK2THRBREN
SCHEMBL215755 0.92 CHEK2 (0.39) POLBCHEK2CHEK1SYKLRRK2
Hydrochloric Acid SCHEMBL213649 0.92 CHEK2 (0.38) POLBCHEK2CHEK1SYKLRRK2
SCHEMBL213394 0.88 POLB (0.48) POLBTP53ALDH1A1NPC1LMNA
SCHEMBL217127 0.87 HRH3 (0.37) POLBCHEK2
SCHEMBL214779 0.85 CHEK2 (0.47) CHEK2SMN1; SMN2
SCHEMBL217227 0.85 POLB (0.37) POLBTP53THRBALDH1A1CYP1A2
SCHEMBL214715 0.83 POLB (0.40) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL216141 0.82 CHEK2 (0.41) CHEK2
Hydrochloric Acid SCHEMBL215453 0.82 CHEK2 (0.40) CHEK2

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 POLB 3464/4885TP53 1743/4885CHEK2 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.