SCHEMBL30007840

SCHEMBL30007840

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
KRAS P01116 16/20 0.35
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
VHL P40337 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
SOS1 Q07889 1/20 0.32

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
SCHEMBL19637840 1.00 PARP1 (0.35) PARP1KRASNR1H2NR1H3VHL
SCHEMBL19617060 1.00 PARP1 (0.35) PARP1KRASNR1H2NR1H3VHL
SCHEMBL19948563 0.88 KRAS (0.36) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948171 0.88 KRAS (0.36) KRASVHLCDK7CCNHMNAT1
SCHEMBL19637243 0.88 KRAS (0.39) PARP1KRASVHLCDK7CCNH
SCHEMBL21315017 0.85 KRAS (0.37) KRASNR1H2NR1H3VHLCDK7
SCHEMBL21315015 0.85 KRAS (0.37) KRASNR1H2NR1H3VHLCDK7
SCHEMBL28500547 0.84 IDH1 (0.41) PARP1KRASVHLCDK7CCNH
SCHEMBL29888410 0.84 IDH1 (0.41) PARP1KRASVHLCDK7CCNH
SCHEMBL19948383 0.84 IDH1 (0.41) PARP1KRASVHLCDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230105745-A1 CYCLOALKYL AND HETERO-CYCLOALKYL INHIBITORS, PREPARATION METHODS THEREFOR, AND USE THEREOF SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-06 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
US-11459327-B1 Cycloalkyl and hetero-cycloalkyl inhibitors, preparation methods therefor, and use thereof SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2022-10-04 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 (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-20230105745-A1 CYCLOALKYL AND HETERO-CYCLOALKYL INHIBITORS, PREPARATION METHODS THEREFOR, AND USE THEREOF KRAS, NRAS, WEE1 PARP1 912/4885KRAS 1/4885NR1H2 1254/4885
US-11459327-B1 Cycloalkyl and hetero-cycloalkyl inhibitors, preparation methods therefor, and use thereof KRAS, NRAS, WEE1 PARP1 912/4885KRAS 1/4885NR1H2 1254/4885

“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.