SCHEMBL21470845

SCHEMBL21470845

CCN1CCN(Cc2ccc(NC(=O)N3CCc4ccc(Oc5ccnc6[nH]c(CO)cc56)cc4[C@@H]3C)cc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.53
▸ MAP3K7 O43318 4/20 0.53
▸ MAP4K2 Q12851 4/20 0.53
▸ RAF1 P04049 5/20 0.49
▸ BRAF P15056 4/20 0.49
▸ ABL1 P00519 5/20 0.48
▸ SRC P12931 4/20 0.48
▸ MAP3K20 Q9NYL2 3/20 0.48
▸ FES P07332 3/20 0.48
▸ FER P16591 3/20 0.48
▸ MAP4K4 O95819 2/20 0.48
▸ LYN P07948 2/20 0.48
▸ EPHA2 P29317 2/20 0.48
▸ EPHB2 P29323 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ CSK P41240 2/20 0.48
▸ ABL2 P42684 2/20 0.48
▸ EPHB4 P54760 1/20 0.48
▸ MKNK2 Q9HBH9 6/20 0.48
▸ MKNK1 Q9BUB5 5/20 0.48

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
SCHEMBL23353517 0.96 MAPK14 (0.54) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL21470935 0.95 MAPK14 (0.52) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL23353688 0.95 MAPK14 (0.47) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL21470794 0.94 MAPK14 (0.46) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL21470934 0.93 MAPK14 (0.53) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL23353605 0.93 MAPK14 (0.54) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL23353742 0.91 MAPK14 (0.53) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL23353666 0.90 MAPK14 (0.54) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL23353513 0.89 MAPK14 (0.55) MAPK14MAP3K7MAP4K2RAF1BRAF
SCHEMBL21470689 0.89 MAPK14 (0.67) MAPK14MAP3K7MAP4K2RAF1BRAF

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 MAPK14 1056/4885MAP3K7 106/4885MAP4K2 87/4885

“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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