SCHEMBL19964211

SCHEMBL19964211

CSc1nc2c(c(N3CCN(C)CC3)n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
MAPT P10636 2/20 0.43
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ESR2 Q92731 1/20 0.38
ADORA1 P30542 2/20 0.38
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GBA1 P04062 1/20 0.35
P2RX3 P56373 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
F12 P00748 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
SCHEMBL24730627 0.83 MTOR (0.41) MTORMAPTPARP1TNKS2PARP2
SCHEMBL22360727 0.82 MTOR (0.45) MTORMAPTPARP1TNKS2PARP2
SCHEMBL19616687 0.82 PARP1 (0.45) MTORMAPTPARP1TNKS2PARP2
SCHEMBL19616489 0.82 TMEM97 (0.46) MTORPARP1TNKS2PARP2P2RX3
SCHEMBL30118148 0.81 MTOR (0.40) MTORMAPTPARP1TNKS2PARP2
SCHEMBL21722183 0.81 GBA1 (0.44) MTORMAPTCCNA2CDK2ALDH1A1
SCHEMBL24730853 0.81 PARP1 (0.45) MTORMAPTPARP1TNKS2PARP2
SCHEMBL19964140 0.81 MTOR (0.39) MTORPARP1TNKS2PARP2
SCHEMBL24730851 0.80 PARP1 (0.44) MTORMAPTPARP1TNKS2PARP2
SCHEMBL22479711 0.79 MTOR (0.42) MTORPARP1TNKS2PARP2RAF1

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-10647715-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-05-12 US disclosed
US-20190270743-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-09-05 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 (3 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-10647715-B2 KRas G12C inhibitors KRAS, NRAS, HRAS MTOR 1106/4885MAPT 3928/4885PARP1 1128/4885
US-20190270743-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885MAPT 3928/4885PARP1 1128/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885MAPT 3928/4885PARP1 1128/4885

“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.