SCHEMBL19637325

SCHEMBL19637325

CN1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCNC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.43
▸ MTOR P42345 1/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR2B P41595 2/20 0.40
▸ TLR9 Q9NR96 7/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL21315023 0.88 MTOR (0.44) HTR2CHRH3MTORHTR2BUSP2
SCHEMBL19617015 0.85 TLR9 (0.44) HTR2CHRH3MTORTLR9USP2
SCHEMBL29245850 0.82 MTOR (0.40) HTR2CHRH3MTORHTR2BUSP2
SCHEMBL19617224 0.82 MTOR (0.40) HTR2CHRH3MTORHTR2BUSP2
SCHEMBL21005672 0.80 MEN1 (0.43) HTR2CMTORHTR2BALDH1A1SIGMAR1
SCHEMBL19637387 0.80 HTR2A (0.43) HTR2CHRH3MTORHTR2AHTR2B
SCHEMBL19636856 0.79 MTOR (0.38) HRH3MTORTLR9CYP3A4CYP2D6
SCHEMBL29246036 0.79 MTOR (0.38) HRH3MTORTLR9CYP3A4CYP2D6
SCHEMBL29493404 0.79 MTOR (0.38) HRH3MTORTLR9CYP3A4CYP2D6
SCHEMBL19636859 0.79 MTOR (0.38) HRH3MTORTLR9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (7 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 HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HTR2C 4626/4885HRH3 3146/4885MTOR 1106/4885

“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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