SCHEMBL19948975

SCHEMBL19948975

CC1c2nc(OCCN(C)C)nc(N3CCN(C(=O)O)C(C(C)(C)C)C3)c2CCN1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.38
CFTR P13569 2/20 0.33
CHRM4 P08173 7/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A7 Q99884 1/20 0.32
LIMK2 P53671 2/20 0.32
CXCR3 P49682 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL19948723 0.85 TLR9 (0.43) KRAS
SCHEMBL19616667 0.85 TLR9 (0.43) KRAS
SCHEMBL19948150 0.84 SLC6A7 (0.37) CHRM4SLC6A7LIMK2PDK1PDK2
SCHEMBL29246029 0.72 KDM4E (0.39) KRASKDM4EALDH1A1GRM2
SCHEMBL19617317 0.72 KRAS (0.47) KRAS
SCHEMBL29245978 0.71 KRAS (0.40) KRASCFTR
SCHEMBL19617700 0.71 CFTR (0.36) CFTRCHRM4KDM4EALDH1A1GRM2
SCHEMBL19617332 0.70 KRAS (0.41) KRASCFTRKDM4EALDH1A1
SCHEMBL19948464 0.69 KRAS (0.45) KRASCFTR
SCHEMBL19616964 0.69 KRAS (0.45) KRASCFTR

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 11 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
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
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 1/4885CFTR 95/4885CHRM4 4881/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885CFTR 95/4885CHRM4 4881/4885

“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.