SCHEMBL19964141

SCHEMBL19964141

CSc1nc2c(c(N3CCN(CC(=O)OCc4ccccc4)[C@@H](CC#N)C3)n1)CCNC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 14/20 0.34
IDH1 O75874 1/20 0.33
CSNK1A1 P48729 2/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
PABPC1 P11940 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
EIF4H Q15056 1/20 0.32
VHL P40337 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
SOS1 Q07889 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL28500547 0.88 IDH1 (0.41) KRASIDH1VHLCDK7CCNH
SCHEMBL29888410 0.88 IDH1 (0.41) KRASIDH1VHLCDK7CCNH
SCHEMBL19948383 0.88 IDH1 (0.41) KRASIDH1VHLCDK7CCNH
SCHEMBL29194133 0.84 IDH1 (0.42) KRASIDH1VHLCDK7CCNH
SCHEMBL21909349 0.84 KRAS (0.42) KRASVHLCDK7CCNHMNAT1
SCHEMBL19964057 0.83 MTOR (0.36) KRASMEN1MAPTKMT2A
SCHEMBL21005324 0.83 KRAS (0.53) KRASVHLCDK7CCNHMNAT1
SCHEMBL26882313 0.83 HTR2C (0.38) CSNK1A1MEN1USP2MAPTPABPC1
SCHEMBL19948171 0.80 KRAS (0.36) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948563 0.80 KRAS (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885IDH1 296/4885CSNK1A1 1899/4885

“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.