SCHEMBL21470776

SCHEMBL21470776

CO/C=C/c1cc2c(Oc3ccc4c(c3)[C@H](C)N(C(=O)OC(C)(C)C)CC4)ccnc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 11/20 0.36
▸ CCNT1 O60563 7/20 0.33
▸ CDK9 P50750 7/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MET P08581 1/20 0.33
▸ AXL P30530 1/20 0.33

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
SCHEMBL23353691 0.91 GHSR (0.35) GHSRCCNT1CDK9KDM4E
SCHEMBL23327019 0.90 KDM4E (0.37) KDM4E
SCHEMBL23327021 0.90 KDM4E (0.37) KDM4E
SCHEMBL21470775 0.84 GHSR (0.37) GHSRCCNT1CDK9
SCHEMBL21470777 0.84 GHSR (0.37) GHSRCCNT1CDK9
SCHEMBL21471032 0.81 KIT (0.39) CCNT1CDK9
SCHEMBL21471031 0.81 KIT (0.39) CCNT1CDK9
SCHEMBL21470702 0.78 GHSR (0.33) GHSRKDM4E
SCHEMBL23326833 0.73 KDM4E (0.36) CCNT1CDK9KDM4EMET
SCHEMBL21470766 0.73 HTR6 (0.39) GHSRMET

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 GHSR 2448/4885CCNT1 1971/4885CDK9 319/4885

“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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