SCHEMBL19782825

SCHEMBL19782825

CC(C)(C)OC(=O)NCCOc1ccc(N)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
PDK2 Q15119 1/20 0.52
IDO1 P14902 3/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SLC5A1 P13866 1/20 0.45
BCHE P06276 1/20 0.42
CNR2 P34972 1/20 0.42
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL19788405 0.90 CA12 (0.59) CA12CA1CA2CA9PDK2
SCHEMBL13306448 0.88 CA12 (0.63) CA12CA1CA2CA9PDK2
SCHEMBL7348907 0.86 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL21017935 0.85 CA1 (0.64) CA12CA1CA2CA9PDK2
SCHEMBL14846343 0.85 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL19783401 0.83 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL30189904 0.83 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL14455035 0.83 CA12 (0.54) CA12CA1CA2CA9PDK2
SCHEMBL26968233 0.82 CA12 (0.59) CA12CA1CA2CA9PDK2
SCHEMBL29812375 0.82 CA12 (0.59) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CA12 3794/4885CA1 3155/4885CA2 2280/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CA12 3728/4885CA1 2630/4885CA2 1774/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CA12 3794/4885CA1 3155/4885CA2 2280/4885

“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.