SCHEMBL293085

SCHEMBL293085

CC1(C)OB(c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL25365287 0.81 IRAK4 (0.34) LIPELPLLIPG
SCHEMBL1104989 0.77 LPL (0.36) LIPELPLLIPG
SCHEMBL23104189 0.77 PI4KA (0.37) CYP1A2
SCHEMBL30203974 0.75 L3MBTL1 (0.33) LPLLIPG
SCHEMBL781799 0.75 L3MBTL1 (0.33) LPLLIPG
SCHEMBL9938454 0.73 IRAK4 (0.39) LPLLIPG
SCHEMBL285259 0.72 CYP17A1 (0.35) CYP17A1CYP1A2
SCHEMBL5956817 0.72 NCF1 (0.39) CYP17A1CYP1A2
SCHEMBL21820851 0.71 LPL (0.33) LIPELPLLIPG
SCHEMBL26043533 0.71 IRAK4 (0.39) LPLLIPG

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
EP-3710440-B1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-05 EP disclosed
US-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-03-30 US disclosed
US-11434233-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-06 US disclosed
US-11420973-B2 Amide substituted indole compounds useful as TLR inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-23 US disclosed
EP-3728221-B1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-01 EP disclosed
US-11306092-B2 Amino indole compounds useful as TLR inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-19 US disclosed
EP-3728218-B1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-01 EP disclosed
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-08-19 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
EP-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 WO disclosed
EP-2215089-A1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA Vertex Pharmaceuticals Incorporated (US) 2010-08-11 EP disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 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 (7 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 LIPE 2774/4885CYP17A1 2828/4885CYP1A2 3257/4885
US-11306092-B2 Amino indole compounds useful as TLR inhibitors TLR7, TLR1, TLR9 LIPE 4196/4885CYP17A1 4418/4885CYP1A2 3992/4885
US-11420973-B2 Amide substituted indole compounds useful as TLR inhibitors TLR9, TLR1, TLR7 LIPE 3497/4885CYP17A1 4698/4885CYP1A2 3365/4885
US-11434233-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 LIPE 4670/4885CYP17A1 3492/4885CYP1A2 4172/4885
US-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 LIPE 2430/4885CYP17A1 2221/4885CYP1A2 1447/4885
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 LIPE 2430/4885CYP17A1 2221/4885CYP1A2 1447/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 LIPE 2430/4885CYP17A1 2221/4885CYP1A2 1447/4885

“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.