SCHEMBL19100608

SCHEMBL19100608

CC(C)(C)OC(=O)n1nc(-c2ccncn2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.43
▸ GPR119 Q8TDV5 3/20 0.40
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ CAMK2B Q13554 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ F2 P00734 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ KLKB1 P03952 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
SCHEMBL29057628 0.79 MAP2K4 (0.50) MAP2K4GPR119RORCKDM4EALDH1A1
SCHEMBL8216089 0.75 ELANE (0.52) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL29626660 0.74 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL30438051 0.74 MAP2K4 (0.47) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL28157040 0.74 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL2674135 0.74 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL7016168 0.74 L3MBTL1 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL5822952 0.74 MAP2K4 (0.47) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL155708 0.74 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL1513042 0.74 MAP2K4 (0.48) MAP2K4GPR119CHRM2CHRM4CHRM1

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 — — US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 — — US disclosed
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 — — EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 — — 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 (2 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 MAP2K4 385/4885GPR119 1928/4885CHRM2 4365/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 MAP2K4 385/4885GPR119 1928/4885CHRM2 4365/4885

“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.

Send feedback