SCHEMBL19948383

SCHEMBL19948383

CSc1nc2c(c(N3CCN(C(=O)OCc4ccccc4)C(CC#N)C3)n1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
KRAS P01116 17/20 0.38
VHL P40337 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
SOS1 Q07889 1/20 0.35
PARP1 P09874 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
SCHEMBL29888410 1.00 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL28500547 1.00 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL29194133 0.96 IDH1 (0.42) IDH1KRASVHLCDK7CCNH
SCHEMBL19636886 0.89 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL28645444 0.89 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL19617263 0.89 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL28645449 0.89 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL19964141 0.88 KRAS (0.34) IDH1KRASVHLCDK7CCNH
SCHEMBL21005745 0.88 KRAS (0.46) KRASVHLCDK7CCNHMNAT1
SCHEMBL30188969 0.88 KRAS (0.46) KRASVHLCDK7CCNHMNAT1

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 13 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
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
CN-112047939-A Tetrahydropyridopyrimidine compound with anti-tumor activity 江苏先声药业有限公司 2020-12-08 CN disclosed
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN 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 (8 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 IDH1 296/4885KRAS 1/4885VHL 4/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS IDH1 296/4885KRAS 1/4885VHL 4/4885

“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.