SCHEMBL21315023

SCHEMBL21315023

O=C(O)N1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCNC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.44
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KRAS P01116 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL19617015 0.88 TLR9 (0.44) MTORHTR2CHRH3RAF1BRAF
SCHEMBL19637325 0.88 HTR2C (0.51) MTORHTR2CHTR2BHRH3USP2
SCHEMBL19616937 0.87 MEN1 (0.45) MTORHTR2CHTR2BUSP2EPHX2
SCHEMBL19617224 0.85 MTOR (0.40) MTORHTR2CHTR2BHRH3RAF1
SCHEMBL29245850 0.85 MTOR (0.40) MTORHTR2CHTR2BHRH3RAF1
SCHEMBL21005672 0.83 MEN1 (0.43) MTORHTR2CHTR2BUSP2EPHX2
SCHEMBL19948623 0.80 KDM4E (0.43) MTORHRH3USP2EPHX2KRAS
SCHEMBL19616825 0.79 MTOR (0.33) MTORKRAS
SCHEMBL22440473 0.79 MTOR (0.33) MTORKRAS
SCHEMBL19636856 0.79 MTOR (0.38) MTORHRH3RAF1BRAFKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 — — US disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 — — EP disclosed
US-10647715-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-05-12 — — US disclosed
US-20190270743-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-09-05 — — 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 (3 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-10647715-B2 KRas G12C inhibitors KRAS, NRAS, HRAS MTOR 1106/4885HTR2C 4626/4885HTR2B 4777/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885HTR2C 4626/4885HTR2B 4777/4885
US-20190270743-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885HTR2C 4626/4885HTR2B 4777/4885

“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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