SCHEMBL21471041

SCHEMBL21471041

CN1CCN(Cc2ccc(NC(=O)N3CCc4ccc(Oc5c(F)cnc6[nH]c(-c7ccncc7)cc56)cc4C3)cc2C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.51
▸ ABL1 P00519 8/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ BRAF P15056 3/20 0.45
▸ EGFR P00533 2/20 0.45
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ BCR P11274 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ RET P07949 2/20 0.42
▸ KIF5B P33176 1/20 0.42
▸ CCDC6 Q16204 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
SCHEMBL21471042 0.94 RET (0.49) SRCABL1MKNK2BRAFEGFR
SCHEMBL21470715 0.92 KIT (0.45) SRCABL1BRAFEGFRCDK1
SCHEMBL21471038 0.92 KIT (0.47) SRCABL1BRAFEGFRCDK1
SCHEMBL21470840 0.92 SRC (0.40) SRCABL1MKNK2BRAFEGFR
SCHEMBL21470719 0.89 HCK (0.46) SRCABL1MKNK2CSF1RKIT
SCHEMBL21470839 0.88 KIT (0.43) SRCABL1BRAFEGFRCDK2
SCHEMBL21470891 0.88 SRC (0.46) SRCABL1BRAFEGFRCDK1
SCHEMBL21470892 0.87 FGFR4 (0.47) SRCABL1BRAFEGFRCDK1
SCHEMBL21471036 0.85 KIT (0.42) ABL1MKNK2CSF1RKITBCR
SCHEMBL21470533 0.84 KIT (0.44) SRCABL1CSF1RKIT

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 SRC 1670/4885ABL1 551/4885MKNK2 175/4885

“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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