SCHEMBL22720500

SCHEMBL22720500

COC(=O)c1nc2c(c(N3CCN(C(=O)OCc4ccccc4)[C@@H](CC#N)C3)n1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 9)

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
SLC29A1 Q99808 1/20 0.34
PARP1 P09874 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
SCHEMBL22720503 1.00 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL28645444 0.93 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL28645449 0.93 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL19636886 0.88 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL19617263 0.88 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL29888410 0.87 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL28500547 0.87 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL19948383 0.87 IDH1 (0.41) IDH1KRASVHLCDK7CCNH
SCHEMBL30188801 0.85 IDH1 (0.40) IDH1KRASVHLCDK7CCNH
SCHEMBL26865857 0.85 IDH1 (0.40) IDH1KRASVHLCDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-12-16 US disclosed
CN-118745176-A Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-08 CN disclosed
CN-118745177-A Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-08 CN disclosed
CN-113423703-B Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-02 CN disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
EP-3978490-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-06 EP disclosed
CN-113423703-A Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-21 CN disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 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 (2 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ IDH1 120/4885KRAS 1/4885VHL 17/4885
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers KRAS, NRAS, GNAQ IDH1 178/4885KRAS 1/4885VHL 17/4885

“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.