SCHEMBL3049573

SCHEMBL3049573

COC(=O)c1cc2cnc(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.45
SRC P12931 8/20 0.45
XDH P47989 3/20 0.45
ALOX15 P16050 2/20 0.43
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL30982318 0.84 XDH (0.47) ABL1SRCXDHALOX15MAPK1
SCHEMBL25268349 0.84 XDH (0.47) ABL1SRCXDHALOX15MAPK1
SCHEMBL27348023 0.84 ALOX15 (0.63) ALOX15MAPT
SCHEMBL25431660 0.82 XDH (0.48) ABL1SRCXDHMAPK1CYP1A2
SCHEMBL10322137 0.81 DYRK1A (0.43) MAPT
SCHEMBL1824752 0.81 GPR35 (0.51) ALOX15MAPK1CYP1A2MAPT
SCHEMBL30189371 0.81 GPR35 (0.51) ALOX15MAPK1CYP1A2MAPT
SCHEMBL30204895 0.80 CDK2 (0.41) ALOX15MAPT
SCHEMBL2328622 0.77 ABL1 (0.58) ABL1SRC
SCHEMBL18940570 0.77 ABL1 (0.49) ABL1SRCXDHMAPK1CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197438-B1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2015-07-15 EP disclosed
EP-2197438-B1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2015-07-15 EP disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMETEK, LLC 2010-09-02 US disclosed
US-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMETEK, LLC 2010-09-02 US disclosed
US-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMETEK, LLC 2010-09-02 US disclosed
EP-2197438-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS Chemietek, Llc (US) 2010-06-23 EP disclosed
WO-2009049021-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2009-04-16 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-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS HRH2, NR3C2, HRH1 ABL1 3041/4885SRC 1616/4885XDH 937/4885

“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.