SCHEMBL21542709

SCHEMBL21542709

Cc1nccc(C2CC2)c1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.40
NOS3 P29474 3/20 0.38
NOS2 P35228 3/20 0.38
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
MTOR P42345 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
MEN1 O00255 1/20 0.33
NOS1 P29475 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL30154929 1.00 CYP17A1 (0.40) CYP17A1NOS3NOS2IDO1KDM4E
SCHEMBL21883621 0.83 NOS3 (0.34) NOS3NOS2KDM4ETLR9TLR8
SCHEMBL23061556 0.79 IDO1 (0.50) CYP17A1IDO1KDM4EHTTHTR6
SCHEMBL928999 0.79 NOS3 (0.45) CYP17A1NOS3NOS2TLR9TLR8
SCHEMBL29526095 0.79 NOS3 (0.45) CYP17A1NOS3NOS2TLR9TLR8
SCHEMBL19880511 0.78 NOS3 (0.33) NOS3NOS2
SCHEMBL27467020 0.77 TLR9 (0.33) IDO1TLR9TLR8TLR7
SCHEMBL3668400 0.76 NOS2 (0.52) CYP17A1NOS3NOS2IDO1KDM4E
SCHEMBL13731405 0.76 CYP17A1 (0.36) CYP17A1IDO1HTTHTR6
SCHEMBL16877207 0.76 TLR8 (0.39) CYP17A1IDO1KDM4EHTTTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-06-10 US disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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 (8 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CYP17A1 4465/4885NOS3 4868/4885NOS2 4845/4885
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 CYP17A1 1412/4885NOS3 887/4885NOS2 1227/4885

“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.