SCHEMBL17310235

SCHEMBL17310235

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.72
▸ JAK2 O60674 3/20 0.47
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CREBBP Q92793 1/20 0.42

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
SCHEMBL17310117 0.91 ALK (0.75) ALKJAK2JAK1TYK2JAK3
SCHEMBL17310226 0.90 ALK (0.77) ALKJAK2JAK1TYK2JAK3
SCHEMBL15932986 0.84 ALK (1.00) ALKJAK2JAK1TYK2JAK3
SCHEMBL20590754 0.82 ALK (0.78) ALKJAK2JAK1TYK2JAK3
SCHEMBL15933001 0.76 ALK (1.00) ALKJAK2JAK1TYK2JAK3
SCHEMBL15933019 0.76 ALK (0.64) ALKJAK2JAK1TYK2JAK3
SCHEMBL17404677 0.73 PIK3CA (0.45) ALK
SCHEMBL18281400 0.73 GPR119 (0.55) ALK
SCHEMBL17310171 0.73 ALK (0.76) ALKJAK2
SCHEMBL17310170 0.73 ALK (0.76) ALKJAK2

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 853/4885JAK2 312/4885JAK1 458/4885

“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.

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