SCHEMBL19948464

SCHEMBL19948464

CC1Cc2c(nc(OCCN(C)C)nc2N2CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.45
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 2/20 0.43
ACHE P22303 1/20 0.41
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
KIT P10721 1/20 0.37
GBA1 P04062 2/20 0.37
PDE10A Q9Y233 1/20 0.37
CFTR P13569 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL19616964 1.00 KRAS (0.45) KRASTLR9TLR7ACHEOPRD1
SCHEMBL19616667 0.85 TLR9 (0.43) KRASTLR9TLR7ACHEOPRD1
SCHEMBL19948723 0.85 TLR9 (0.43) KRASTLR9TLR7ACHEOPRD1
SCHEMBL19616949 0.84 ACHE (0.44) TLR9TLR7ACHEOPRD1OPRK1
SCHEMBL19947889 0.84 ACHE (0.44) TLR9TLR7ACHEOPRD1OPRK1
SCHEMBL19617009 0.81 KRAS (0.51) KRASTLR9TLR7ACHEGPR119
SCHEMBL19948037 0.81 KRAS (0.51) KRASTLR9TLR7ACHEGPR119
SCHEMBL19616896 0.80 KRAS (0.62) KRASTLR9TLR7ACHEKIT
SCHEMBL19947881 0.80 KRAS (0.62) KRASTLR9TLR7ACHEKIT
SCHEMBL26792248 0.79 KRAS (0.52) KRASTLR9TLR7ACHE

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
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
US-11267812-B2 KRAS G12C inhibitors Mirati Therapeutics, Inc. (US) 2022-03-08 US disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 EP disclosed
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 US disclosed
US-10633381-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-04-28 US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 US disclosed
US-10125134-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2018-11-13 US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 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 (9 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885TLR9 4662/4885TLR7 4196/4885

“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.