SCHEMBL21471075

SCHEMBL21471075

CC[C@@H]1CN(C(=O)Nc2ccc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3c(F)cnc4[nH]c(-c5cnn(C)c5)cc34)cnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 3/20 0.44
▸ BTK Q06187 2/20 0.44
▸ NR2C2 P49116 3/20 0.43
▸ MAP3K7 O43318 8/20 0.42
▸ MAP4K2 Q12851 8/20 0.42
▸ MAPK14 Q16539 8/20 0.42
▸ FES P07332 2/20 0.42
▸ FER P16591 2/20 0.42
▸ MAP3K20 Q9NYL2 5/20 0.41
▸ CSK P41240 4/20 0.41
▸ EPHA2 P29317 3/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ LYN P07948 2/20 0.41
▸ SRC P12931 2/20 0.41
▸ EPHB2 P29323 2/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ EPHB4 P54760 2/20 0.41
▸ KIT P10721 2/20 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
SCHEMBL21470509 0.91 MAPK14 (0.49) HCKBTKNR2C2MAP3K7MAP4K2
SCHEMBL21471123 0.89 HCK (0.45) HCKBTKNR2C2MAP3K7MAP4K2
SCHEMBL21470719 0.88 HCK (0.46) HCKBTKNR2C2MAP3K7MAP4K2
SCHEMBL21470838 0.86 ABL1 (0.48) ABL1SRCKITRETCSF1R
SCHEMBL21470823 0.85 EGFR (0.41) ABL1SRCRETDDR1
SCHEMBL21470715 0.85 KIT (0.45) HCKBTKABL1SRCKIT
SCHEMBL21470534 0.83 HCK (0.44) HCKBTKNR2C2MAP3K7MAP4K2
SCHEMBL21470839 0.83 KIT (0.43) HCKBTKNR2C2EPHA2ABL1
SCHEMBL21470755 0.83 MAP3K7 (0.43) HCKMAP3K7MAP4K2MAPK14FES
SCHEMBL21470826 0.83 MKNK1 (0.39) MAP3K7MAP4K2MAPK14FESFER

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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