SCHEMBL21733375

SCHEMBL21733375

Cc1cc(N)nc(C(C)C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.39
NOS3 P29474 8/20 0.39
NOS1 P29475 8/20 0.39
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
BACE1 P56817 2/20 0.33
PRMT5 O14744 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MPO P05164 1/20 0.30

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
SCHEMBL22681209 0.81 HSP90AA1 (0.36) HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR
SCHEMBL24649065 0.81 NOS2 (0.33) NOS2NOS3NOS1
SCHEMBL27300605 0.81 NOS2 (0.34) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL24070968 0.78 NOS3 (0.35) NOS2NOS3NOS1HRH4
SCHEMBL21733973 0.77 NOS2 (0.40) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL24756842 0.77 HSP90AA1 (0.38) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL24649076 0.77 NOS3 (0.32) NOS2NOS3NOS1
SCHEMBL24854516 0.76 NOS3 (0.35) NOS2NOS3CYP3A4CYP2D6TSHR
SCHEMBL25827014 0.76 NOS3 (0.38) NOS2NOS3NOS1CYP3A4CYP2D6
SCHEMBL27051415 0.76 NOS2 (0.42) NOS2NOS3NOS1BACE1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2023240189-A1 TETRAHYDROPYRIDO 3,4-D PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
WO-2023274324-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海艾力斯医药科技股份有限公司 2023-01-05 WO disclosed
US-20220281893-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-09-08 US disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
WO-2021219090-A1 QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 WO disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (12 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS NOS2 4621/4885NOS3 4566/4885NOS1 4542/4885
US-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NOS2 3039/4885NOS3 3408/4885NOS1 3354/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA NOS2 562/4885NOS3 1553/4885NOS1 847/4885
US-20220281893-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF OXA1L, CACNA1I, GRIK5 NOS2 4718/4885NOS3 4712/4885NOS1 4805/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L NOS2 4592/4885NOS3 4696/4885NOS1 4756/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS NOS2 4639/4885NOS3 4599/4885NOS1 4548/4885
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS NOS2 4484/4885NOS3 4437/4885NOS1 4465/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 NOS2 3912/4885NOS3 3905/4885NOS1 4313/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NOS2 4720/4885NOS3 4156/4885NOS1 4614/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NOS2 3039/4885NOS3 3408/4885NOS1 3354/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NOS2 4765/4885NOS3 4762/4885NOS1 4692/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS NOS2 3039/4885NOS3 3408/4885NOS1 3354/4885

“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.