SCHEMBL21471031

SCHEMBL21471031

C[C@H]1c2cc(Oc3ccnc4[nH]c(-c5cnn(C)c5)cc34)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 12/20 0.39
▸ BRAF P15056 1/20 0.38
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ RET P07949 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ CSF1R P07333 2/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ TPX2 Q9ULW0 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL21471032 1.00 KIT (0.39) KITBRAFCCNCCDK8RET
SCHEMBL23327068 0.90 KIT (0.39) KITBRAFCCNCCDK8TBK1
SCHEMBL23353691 0.82 GHSR (0.35) CCNT1CDK9
SCHEMBL21470776 0.81 GHSR (0.36) CCNT1CDK9
SCHEMBL21470777 0.81 GHSR (0.37) CCNT1CDK9
SCHEMBL21470775 0.81 GHSR (0.37) CCNT1CDK9
SCHEMBL21470944 0.78 MAPK14 (0.49) KITBRAFCDK8RETCSF1R
SCHEMBL21470706 0.73 NR1H2 (0.42) KITRETPDGFRBAURKBCCNT1
SCHEMBL20920004 0.72 KIT (0.60) KITRET
SCHEMBL23327019 0.70 KDM4E (0.37) —

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 KIT 1130/4885BRAF 726/4885CCNC 1238/4885

“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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