SCHEMBL20945399

SCHEMBL20945399

Cc1c(CN2CCc3nc(Nc4ccc(C#N)c(F)c4)ncc3C2)ccc2c1COC2=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 11/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ MAPT P10636 7/20 0.52
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 2/20 0.46
▸ GRM5 P41594 1/20 0.46

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
SCHEMBL30569153 1.00 KCNJ1 (0.57) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL30569167 0.93 KCNJ1 (0.65) KCNJ1KCNH2MAPTLMNAGRM5
SCHEMBL20945421 0.93 KCNJ1 (0.65) KCNJ1KCNH2MAPTLMNAGRM5
SCHEMBL30569178 0.87 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19513100 0.87 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19512836 0.86 KCNJ1 (0.72) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL20945400 0.85 GRM5 (0.47) KCNJ1KCNH2GRM5
SCHEMBL19512957 0.85 KCNJ1 (0.57) KCNJ1KCNH2MAPTLMNA
SCHEMBL30569189 0.85 KCNJ1 (0.57) KCNJ1KCNH2MAPTLMNA
SCHEMBL20945405 0.84 KCNJ1 (0.72) KCNJ1KCNH2

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 9 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
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

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 460/4885MAPT 4625/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL KCNJ1 245/4885KCNH2 460/4885MAPT 4625/4885

“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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