SCHEMBL19475690

SCHEMBL19475690

Cn1c(=O)oc2ccc(CN3CCc4cc(Nc5ccc(C#N)c(F)c5)ccc4C3)cc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 5/20 0.66
▸ KCNH2 Q12809 2/20 0.44
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ PGR P06401 2/20 0.40
▸ TP53 P04637 1/20 0.37
▸ PRKAA2 P54646 1/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PARG Q86W56 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ ACACB O00763 1/20 0.34

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
SCHEMBL19475769 0.80 KCNJ1 (1.00) KCNJ1KCNH2PRMT5WDR77
SCHEMBL19475854 0.73 KCNJ1 (0.84) KCNJ1KCNH2
SCHEMBL20945405 0.73 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL30569204 0.72 KCNJ1 (0.46) KCNJ1KCNH2
SCHEMBL19475689 0.72 KCNJ1 (0.46) KCNJ1KCNH2
SCHEMBL19513098 0.69 KCNJ1 (0.70) KCNJ1KCNH2
SCHEMBL20945423 0.68 KCNJ1 (0.53) KCNJ1KCNH2PGRKMT2AS1PR1
SCHEMBL19475764 0.67 KCNJ1 (0.65) KCNJ1KCNH2
SCHEMBL30569156 0.66 KCNJ1 (0.77) KCNJ1KCNH2ABCB1
SCHEMBL19512958 0.66 KCNJ1 (0.77) KCNJ1KCNH2ABCB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP claimed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US claimed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US claimed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — 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 (2 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-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL KCNJ1 245/4885KCNH2 460/4885PRMT5 971/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL KCNJ1 245/4885KCNH2 460/4885PRMT5 971/4885

“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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