SCHEMBL19769059

SCHEMBL19769059

CC(C)c1nccc(C2CC2)c1N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
HRH4 Q9H3N8 3/20 0.33
IDO1 P14902 3/20 0.32
CYP17A1 P05093 1/20 0.32
FEN1 P39748 4/20 0.32
ALOX5AP P20292 3/20 0.32
AAK1 Q2M2I8 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
RET P07949 1/20 0.30
LNPEP Q9UIQ6 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
SCHEMBL19769064 0.86
SCHEMBL19769062 0.80
SCHEMBL25928007 0.79 HTR6 (0.33) HTR6IDO1RET
SCHEMBL13045206 0.76 IDO1 (0.36) HTR6TLR9TLR8TLR7IDO1
SCHEMBL18881216 0.76 PDK2 (0.44)
SCHEMBL21542709 0.76 CYP17A1 (0.40) HTR6TLR9TLR8TLR7HRH4
SCHEMBL30154929 0.76 CYP17A1 (0.40) HTR6TLR9TLR8TLR7HRH4
SCHEMBL29526095 0.75 NOS3 (0.45) TLR9TLR8TLR7CYP17A1FEN1
SCHEMBL928999 0.75 NOS3 (0.45) TLR9TLR8TLR7CYP17A1FEN1
SCHEMBL19880497 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2022-03-29 US disclosed
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-06-10 US disclosed
EP-3807276-A2 KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER Amgen Inc. (US) 2021-04-21 EP disclosed
US-10597377-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-24 US disclosed
US-10351547-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2019-07-16 US disclosed
US-20190002431-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2019-01-03 US disclosed
US-9896432-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-20 US disclosed
US-9896432-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-20 US disclosed
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 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-11285156-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS HTR6 4748/4885TLR9 4820/4885TLR8 4681/4885
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 HTR6 158/4885TLR9 2148/4885TLR8 2130/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS HTR6 4748/4885TLR9 4820/4885TLR8 4681/4885
US-10597377-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 HTR6 158/4885TLR9 2148/4885TLR8 2130/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HTR6 4839/4885TLR9 4736/4885TLR8 4792/4885
US-10351547-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 HTR6 158/4885TLR9 2148/4885TLR8 2130/4885
US-20190002431-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 HTR6 158/4885TLR9 2148/4885TLR8 2130/4885
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 HTR6 158/4885TLR9 2148/4885TLR8 2130/4885

“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.