SCHEMBL3064604

SCHEMBL3064604

COC(=O)c1cc2cnc(Cl)cc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
MAPT P10636 3/20 0.35
PTGS2 P35354 1/20 0.35
AURKA O14965 1/20 0.35
CDK2 P24941 1/20 0.35
ATR Q13535 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 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
SCHEMBL3059960 0.82 KDM4E (0.46) CCR9KMT2AKDM4EALDH1A1JAK2
SCHEMBL3048687 0.78 CCR9 (0.47) CCR9KMT2AKDM4EALDH1A1JAK2
SCHEMBL3064581 0.76 KDM4E (0.41) CCR9KDM4EALDH1A1MAPT
SCHEMBL3059141 0.76 CCR9 (0.38) CCR9KDM4EALDH1A1MAPT
SCHEMBL3059137 0.76 CCR9 (0.38) CCR9KDM4EALDH1A1MAPT
SCHEMBL7688499 0.71 CCR9 (0.43) CCR9KDM4EALDH1A1JAK2JAK1
SCHEMBL31618907 0.71 KDM4E (0.38) KMT2AKDM4EALDH1A1MAPT
SCHEMBL18338266 0.71 KDM4E (0.65) KMT2AKDM4EALDH1A1MAPTTP53
SCHEMBL19301507 0.70 KMT2A (0.36) KMT2AJAK2JAK1JAK3MAPT
SCHEMBL20536218 0.70 RHEB (0.47) KMT2AALDH1A1MAPTPTGS2TP53

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
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-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 CCR9 650/4885KMT2A 3223/4885KDM4E 4586/4885

“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.