SCHEMBL27013363

SCHEMBL27013363

CC(C)(C)OC(=O)N1CCc2c(Cl)nc(-c3ccc(C(F)(F)F)cc3)nc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.49
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ HDAC4 P56524 4/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ PRKCI P41743 2/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ P2RY14 Q15391 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL27013362 0.90 MTOR (0.51) MTORPARP1TNKS2PARP2HDAC4
SCHEMBL25341749 0.88 MTOR (0.50) MTORPARP1TNKS2PARP2PDE10A
SCHEMBL27007750 0.85 MTOR (0.47) MTORRAF1BRAFPARP1TNKS2
SCHEMBL27007522 0.85 MTOR (0.47) MTORRAF1BRAFPARP1TNKS2
SCHEMBL4391067 0.84 MTOR (0.49) MTORRAF1BRAFPARP1TNKS2
SCHEMBL27013372 0.83 RORC (0.42) MTORRAF1BRAFPARP1TNKS2
SCHEMBL27007531 0.83 MTOR (0.47) MTORRAF1BRAFPARP1TNKS2
SCHEMBL27013400 0.82 MTOR (0.45) MTORRAF1BRAFPARP1TNKS2
SCHEMBL27007524 0.82 MTOR (0.45) MTORRAF1BRAFPARP1TNKS2
SCHEMBL27007521 0.82 MTOR (0.45) MTORRAF1BRAFPARP1TNKS2

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-20240018148-A1 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-01-18 — — 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-20240018148-A1 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 MTOR 574/4885RAF1 1026/4885BRAF 822/4885

“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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