SCHEMBL17404677

SCHEMBL17404677

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N)c(-c2ccccc2S(=O)(=O)NC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.45
▸ ALK Q9UM73 7/20 0.44
▸ EGFR P00533 3/20 0.43
▸ PDK2 Q15119 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ F10 P00742 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ TGFBR1 P36897 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
SCHEMBL17310247 0.89 ZAP70 (0.46) PIK3CAALKEGFRATR
SCHEMBL17310205 0.81 ALK (0.44) PIK3CAALKEGFRBRD4
SCHEMBL17310235 0.73 ALK (0.72) ALK
SCHEMBL17310117 0.72 ALK (0.75) ALK
SCHEMBL3622493 0.72 PDK2 (0.50) PIK3CAALKPDK2ATRSMARCA2
SCHEMBL25192257 0.71 ALK (0.50) PIK3CAALKSMARCA2SMARCA4PBRM1
SCHEMBL31173935 0.71 ALK (0.50) PIK3CAALKSMARCA2SMARCA4PBRM1
SCHEMBL30796360 0.71 SMARCA2 (0.58) PIK3CAALKPDK2ATRSMARCA2
SCHEMBL19139192 0.70 PIK3CA (0.44) PIK3CAALKPDK2SMARCA2SMARCA4
SCHEMBL24590335 0.70 ALK (0.57) ALKEGFRPDK2

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
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 — — US 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
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 — — US 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 PIK3CA 266/4885ALK 853/4885EGFR 1295/4885

“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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