SCHEMBL19617732

SCHEMBL19617732

COc1cc(N2CCc3c(nc(OCCCN4CCOCC4)nc3N3CCNCC3)C2)c2ccc(C)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ KRAS P01116 6/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ TOP1 P11387 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL19617239 0.88 KRAS (0.42) KRAS
SCHEMBL19948048 0.87 KRAS (0.55) KRAS
SCHEMBL30188667 0.87 KRAS (0.55) KRAS
SCHEMBL19948484 0.87 TLR7 (0.39) TLR9TLR7KRASTOP1HRH3
SCHEMBL30188736 0.83 KRAS (0.46) TLR9TLR7KRASNPSR1
SCHEMBL19617603 0.83 KRAS (0.46) TLR9TLR7KRASNPSR1
SCHEMBL19617212 0.80 KRAS (0.47) TLR9TLR7KRASTOP1HRH3
SCHEMBL19637310 0.79 TOP1 (0.40) TLR9TLR7KRASPDE3BPDE3A
SCHEMBL19616477 0.79 KRAS (0.52) KRAS
SCHEMBL19637087 0.78 KRAS (0.66) KRAS

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
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
EP-3458445-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-03-27 — — EP 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
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — 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 (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 TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TLR9 4662/4885TLR7 4196/4885KRAS 1/4885

“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.

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