SCHEMBL21470719

SCHEMBL21470719

CCN1CCN(Cc2ccc(NC(=O)N3CCc4ccc(Oc5c(F)cnc6[nH]c(-c7cnn(C)c7)cc56)cc4C3)cc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 3/20 0.46
▸ BTK Q06187 2/20 0.46
▸ NR2C2 P49116 3/20 0.45
▸ KIT P10721 2/20 0.44
▸ MAP3K7 O43318 6/20 0.43
▸ MAP4K2 Q12851 6/20 0.43
▸ MAPK14 Q16539 6/20 0.43
▸ DDR1 Q08345 2/20 0.43
▸ FES P07332 1/20 0.43
▸ FER P16591 1/20 0.43
▸ MKNK2 Q9HBH9 5/20 0.43
▸ MAP3K20 Q9NYL2 3/20 0.42
▸ CSK P41240 3/20 0.42
▸ MKNK1 Q9BUB5 3/20 0.42
▸ EPHA2 P29317 2/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ RET P07949 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ RAF1 P04049 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
SCHEMBL21470715 0.96 KIT (0.45) HCKBTKKITABL1RET
SCHEMBL21470839 0.95 KIT (0.43) HCKBTKNR2C2KITEPHA2
SCHEMBL21470534 0.89 HCK (0.44) HCKBTKNR2C2KITMAP3K7
SCHEMBL21471041 0.89 SRC (0.51) KITMKNK2MKNK1ABL1RET
SCHEMBL21470533 0.89 KIT (0.44) KITABL1KDRSRCCSF1R
SCHEMBL21471038 0.88 KIT (0.47) KITABL1RETSRCBCR
SCHEMBL21470718 0.88 KIT (0.40) HCKBTKNR2C2KITDDR1
SCHEMBL21471075 0.88 HCK (0.44) HCKBTKNR2C2KITMAP3K7
SCHEMBL21471042 0.87 RET (0.49) KITMKNK2MKNK1ABL1RET
SCHEMBL23353703 0.87 ABL1 (0.43) HCKBTKKITMKNK2MKNK1

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 HCK 146/4885BTK 2085/4885NR2C2 728/4885

“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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