SCHEMBL17310246

SCHEMBL17310246

COc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 1.00
MET P08581 8/20 0.69
JAK2 O60674 5/20 0.69
INSR P06213 3/20 0.69
JAK3 P52333 3/20 0.69
MAP4K3 Q8IVH8 2/20 0.69
PLK4 O00444 2/20 0.69
AURKA O14965 2/20 0.69
DCLK1 O15075 2/20 0.69
PRKD3 O94806 2/20 0.69
ABL1 P00519 2/20 0.69
NTRK1 P04629 2/20 0.69
LCK P06239 2/20 0.69
FES P07332 2/20 0.69
CSF1R P07333 2/20 0.69
LYN P07948 2/20 0.69
RET P07949 2/20 0.69
IGF1R P08069 2/20 0.69
ROS1 P08922 2/20 0.69
SRC P12931 2/20 0.69

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
SCHEMBL15932993 1.00 ALK (1.00) ALKMETJAK2INSRJAK3
SCHEMBL5254859 0.88 ALK (0.78) ALKMETJAK2INSRJAK3
SCHEMBL97762 0.86 ALK (0.76) ALKMETJAK2INSRJAK3
SCHEMBL5930845 0.83 ALK (0.72) ALKMETJAK2INSRJAK3
SCHEMBL5255269 0.83 ALK (0.71) ALKMETJAK2INSRJAK3
SCHEMBL17310259 0.82 MET (0.77) ALKMETJAK2
SCHEMBL17310261 0.82 MET (0.77) ALKMETJAK2
SCHEMBL5930528 0.82 ALK (0.70) ALKMETJAK2INSRJAK3
SCHEMBL30452774 0.81 MET (0.76) ALKMETJAK2
SCHEMBL488698 0.81 MET (0.76) ALKMETJAK2

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
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
EP-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 EP 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA ALK 853/4885MET 1846/4885JAK2 312/4885

“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.