SCHEMBL18343003

SCHEMBL18343003

CC(C)Nc1cc(Cl)ncc1-c1cnn(C2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 3/20 0.67
IRAK4 Q9NWZ3 6/20 0.60
JAK2 O60674 4/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
NTRK1 P04629 1/20 0.43
MET P08581 4/20 0.42
FGFR1 P11362 2/20 0.42
ABL1 P00519 1/20 0.42
RET P07949 1/20 0.42
FLT1 P17948 1/20 0.42
EPHA2 P29317 1/20 0.42
MST1R Q04912 1/20 0.42
ALK Q9UM73 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL18343046 0.86 KCNJ5 (0.61) KCNJ5IRAK4JAK2JAK1JAK3
SCHEMBL18343018 0.83 IRAK4 (0.59) KCNJ5IRAK4
SCHEMBL17764645 0.82 IRAK4 (0.61) KCNJ5IRAK4JAK2JAK1JAK3
SCHEMBL18343023 0.81 KCNJ5 (1.00) KCNJ5IRAK4
SCHEMBL21958305 0.76 KCNJ5 (0.50) KCNJ5IRAK4JAK2JAK1JAK3
SCHEMBL31262468 0.76 KCNJ5 (0.44) KCNJ5IRAK4JAK2JAK1JAK3
SCHEMBL18345067 0.76 IRAK4 (1.00) KCNJ5IRAK4
SCHEMBL31262505 0.75 IRAK4 (0.47) KCNJ5IRAK4JAK2JAK1JAK3
SCHEMBL18343024 0.75 KCNJ5 (1.00) KCNJ5IRAK4
SCHEMBL26598702 0.74 MKNK1 (0.52) KCNJ5IRAK4JAK2JAK1JAK3

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-3313844-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-26 EP disclosed
EP-3313844-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-26 EP disclosed
CN-108026099-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-10 CN disclosed
US-10202390-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-12 US disclosed
US-10202390-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-12 US disclosed
US-20180179213-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-06-28 US disclosed
US-20180179213-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-06-28 US disclosed
US-20180179213-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-06-28 US disclosed
EP-3313844-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS Bristol-Myers Squibb Company (US) 2018-05-02 EP disclosed
WO-2016210037-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 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-10202390-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 KCNJ5 1519/4885IRAK4 1/4885JAK2 18/4885
US-20180179213-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 KCNJ5 1519/4885IRAK4 1/4885JAK2 18/4885

“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.