SCHEMBL21470893

SCHEMBL21470893

O=C(Nc1ccc(CN2CCNCC2)c(C(F)(F)F)c1)N1CCc2ccc(Oc3c(F)cnc4[nH]c(C5(O)CC5)cc34)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.43
▸ MKNK2 Q9HBH9 4/20 0.43
▸ FGFR4 P22455 4/20 0.40
▸ ABL1 P00519 7/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ SRC P12931 5/20 0.39
▸ DDR1 Q08345 2/20 0.39
▸ EGFR P00533 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ FES P07332 1/20 0.37
▸ FER P16591 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL21470892 0.94 FGFR4 (0.47) FGFR4ABL1SRCEGFRBRAF
SCHEMBL21470787 0.89 MAPK14 (0.46) MKNK1MKNK2FGFR4ABL1CYP3A4
SCHEMBL23353753 0.88 MKNK1 (0.43) MKNK1MKNK2FGFR4ABL1CYP3A4
SCHEMBL21470783 0.86 MKNK2 (0.43) MKNK1MKNK2FGFR4ABL1CYP3A4
SCHEMBL21470589 0.84 FGFR4 (0.46) MKNK1MKNK2FGFR4ABL1BCR
SCHEMBL21470792 0.83 MAPK14 (0.49) FGFR4ABL1SRCDDR1EGFR
SCHEMBL21470891 0.82 SRC (0.46) FGFR4ABL1SRCEGFRBRAF
SCHEMBL21471041 0.81 SRC (0.51) MKNK1MKNK2FGFR4ABL1BCR
SCHEMBL21471038 0.81 KIT (0.47) FGFR4ABL1BCRSRCEGFR
SCHEMBL21470715 0.81 KIT (0.45) FGFR4ABL1BCRSRCEGFR

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — 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 (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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 MKNK1 114/4885MKNK2 175/4885FGFR4 3179/4885

“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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