SCHEMBL23327068

SCHEMBL23327068

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 11/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ AURKA O14965 2/20 0.38
▸ INCENP Q9NQS7 2/20 0.38
▸ TPX2 Q9ULW0 2/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CSF1R P07333 1/20 0.36

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 0.90 KIT (0.39) KITCCNCCDK8TBK1AURKB
SCHEMBL21471031 0.90 KIT (0.39) KITCCNCCDK8TBK1AURKB
SCHEMBL23327019 0.80 KDM4E (0.37) —
SCHEMBL23327021 0.80 KDM4E (0.37) —
SCHEMBL21470944 0.79 MAPK14 (0.49) KITCDK8AURKBAURKABRAF
SCHEMBL23326833 0.79 KDM4E (0.36) AURKBAURKAKDR
SCHEMBL23353691 0.71 GHSR (0.35) —
SCHEMBL23326813 0.71 MET (0.36) KDR
SCHEMBL23326985 0.70 KIT (0.42) KITAURKBPRMT5PDGFRBKDR
SCHEMBL21470776 0.70 GHSR (0.36) —

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 1 patent. 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

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 1130/4885CCNC 1238/4885CDK8 345/4885

“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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