SCHEMBL17404662

SCHEMBL17404662

COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(OC=O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.59
▸ EGFR P00533 2/20 0.38
▸ MAP4K1 Q92918 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.35
▸ FYN P06241 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ INSR P06213 1/20 0.34
▸ NPM1 P06748 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ TRPC6 Q9Y210 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL17404654 0.87 ALK (0.69) ALKMAP4K1PDE10ARPS6KA3FYN
SCHEMBL15932988 0.86 ALK (0.62) ALKEGFRMAP4K1PDE10ARPS6KA3
SCHEMBL15933047 0.86 ALK (0.59) ALKMAP4K1PDE10ARPS6KA3LCK
SCHEMBL17404663 0.86 ALK (0.59) ALKEGFRMAP4K1PDE10ARPS6KA3
SCHEMBL17404673 0.85 ALK (0.60) ALKEGFRMAP4K1RPS6KA3FYN
SCHEMBL15933046 0.85 ALK (0.59) ALKEGFRMAP4K1RPS6KA3FYN
SCHEMBL15933045 0.82 ALK (0.64) ALKEGFRMAP4K1PDE10ARPS6KA3
SCHEMBL17404661 0.79 ALK (0.77) ALK
SCHEMBL15933034 0.78 ALK (0.84) ALKPDE10AFYN
Hydrochloric Acid SCHEMBL17310251 0.77 ALK (0.83) ALKPDE10AFYN

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 2 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-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 ALK 853/4885EGFR 1295/4885MAP4K1 33/4885

“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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