SCHEMBL20985293

SCHEMBL20985293

CC(C)(N)c1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
GCK P35557 4/20 0.41
GCKR Q14397 4/20 0.41
PDE2A O00408 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38

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
SCHEMBL284446 0.84 NOS3 (0.50) NOS3NOS2KDM4EHSD17B10GCK
SCHEMBL30256450 0.80 GCK (0.47) NOS3NOS2KDM4EHSD17B10GCK
SCHEMBL27451941 0.80 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10GCK
SCHEMBL30940494 0.80 GCK (0.47) NOS3NOS2KDM4EHSD17B10GCK
SCHEMBL1725656 0.80 GCK (0.47) NOS3NOS2KDM4EHSD17B10GCK
SCHEMBL16885530 0.80 GCK (0.47) NOS3NOS2KDM4EHSD17B10GCK
SCHEMBL177728 0.79 KMT2A (0.52) NOS3NOS2GCKGCKRPIK3CD
SCHEMBL29441491 0.79 KMT2A (0.52) NOS3NOS2GCKGCKRPIK3CD
SCHEMBL7845107 0.79 CCR1 (0.42) KDM4EGCKGCKRPDE2AALOX5AP
SCHEMBL14236551 0.77 ADRA2A (0.39) PDE2APIK3CDAKT1AKT2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365667-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-22 US disclosed
CN-111315737-B Heteroaryl compounds substituted with sulfone pyridinylalkylamides 百时美施贵宝公司 2024-06-18 CN disclosed
US-20240002364-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 US disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 US disclosed
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
EP-3713930-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS Bristol-Myers Squibb Company (US) 2020-09-30 EP disclosed
CN-111315737-A Sulfonylpyridinylalkylamide substituted heteroaryl compounds 百时美施贵宝公司 2020-06-19 CN disclosed
WO-2019103952-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-31 WO disclosed
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 US disclosed
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 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 (6 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-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885KDM4E 1208/4885
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885KDM4E 1208/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885KDM4E 1208/4885
US-20240002364-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885KDM4E 1208/4885
US-12365667-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885KDM4E 1208/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885KDM4E 1208/4885

“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.