SCHEMBL17310174

SCHEMBL17310174

COc1cc(N2CCNCC2)ccc1-c1cnc(N)c(-c2ccccc2S(=O)(=O)NC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.51
▸ ACVR1 Q04771 14/20 0.51
▸ TGFBR1 P36897 7/20 0.51
▸ NOD2 Q9HC29 8/20 0.50
▸ RIPK2 O43353 7/20 0.50
▸ FYN P06241 1/20 0.47

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
SCHEMBL17404677 0.85 PIK3CA (0.45) ALKTGFBR1
SCHEMBL17404669 0.79 ALK (0.52) ALKACVR1NOD2RIPK2
Hydrochloric Acid SCHEMBL17310002 0.78 ALK (0.51) ALKACVR1NOD2RIPK2
SCHEMBL17310247 0.74 ZAP70 (0.46) ALKFYN
SCHEMBL2387128 0.73 MET (0.55) ALKACVR1TGFBR1FYN
Hydrochloric Acid SCHEMBL28036122 0.73 ALK (0.47) ALKACVR1NOD2RIPK2
SCHEMBL28035722 0.71 TGFBR1 (0.58) ALKACVR1TGFBR1NOD2RIPK2
SCHEMBL20523668 0.69 ACVR1 (0.76) ACVR1TGFBR1NOD2RIPK2FYN
SCHEMBL17310219 0.69 MEN1 (0.44) —
SCHEMBL20523425 0.68 ACVR1 (0.75) ACVR1TGFBR1NOD2RIPK2FYN

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-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-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
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
EP-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 — — EP disclosed
CN-104968654-A Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2015-10-07 — — CN 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 853/4885ACVR1 4536/4885TGFBR1 4621/4885

“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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