SCHEMBL17835133

SCHEMBL17835133

COc1cc(Cl)c(C2CC2)cc1NCC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.45
▸ SHMT2 P34897 1/20 0.41
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ PDE4B Q07343 2/20 0.37
▸ STS P08842 1/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ MGLL Q99685 5/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ ALK Q9UM73 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL30642265 0.97 KRAS (0.44) KRASSHMT2CCNT1CDK9GAA
SCHEMBL16122418 0.97 KRAS (0.44) KRASSHMT2CCNT1CDK9GAA
SCHEMBL16129267 0.89 KRAS (0.43) KRASSHMT2CCNT1CDK9GAA
SCHEMBL16122588 0.88 KRAS (0.44) KRASSHMT2CCNT1CDK9STS
SCHEMBL30642257 0.88 KRAS (0.44) KRASSHMT2CCNT1CDK9STS
SCHEMBL16102313 0.88 KRAS (0.46) KRASSHMT2CCNT1CDK9GAA
SCHEMBL16093602 0.88 KRAS (0.46) KRASSHMT2CCNT1CDK9GAA
SCHEMBL16093741 0.86 KRAS (0.45) KRASSHMT2CCNT1CDK9GAA
SCHEMBL16098954 0.86 KRAS (0.48) KRASSHMT2CCNT1CDK9GAA
SCHEMBL30642275 0.86 KRAS (0.48) KRASSHMT2CCNT1CDK9GAA

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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — 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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885SHMT2 1327/4885CCNT1 948/4885

“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.

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