SCHEMBL30745937

SCHEMBL30745937

CCCCOC(=O)N1CCc2c(Cl)nc(-c3ccccc3)nc2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.44
MTOR P42345 3/20 0.42
P2RY12 Q9H244 8/20 0.41
PDE10A Q9Y233 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
P2RX7 Q99572 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL29493385 0.83 SMYD3 (0.43) SMYD3PTGDR2
SCHEMBL30745941 0.82 P2RY12 (0.39) SMYD3MTORP2RY12PPARGPPARA
SCHEMBL30613801 0.81 P2RY12 (0.42) P2RY12
SCHEMBL25341749 0.81 MTOR (0.50) MTORPDE10AP2RX7
SCHEMBL30613774 0.77 TSHR (0.43) PDE10A
SCHEMBL30613770 0.74 MTOR (0.38) SMYD3MTORP2RY12PTGDR2
SCHEMBL30613818 0.74 MTOR (0.38) SMYD3MTORPTGDR2
SCHEMBL31623568 0.74 SMYD3 (0.45) SMYD3PDE10APTGDR2
SCHEMBL13249799 0.74 TP53 (0.40) SMYD3P2RY12PPARGPPARAPTGDR2
SCHEMBL25342146 0.73 MEN1 (0.44) PDE10AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516064-B2 Tetrahydropyridopyrimidines and related analogs for inhibiting YAP/TAZ-TEAD SpringWorks Therapeutics Inc. (US) 2026-01-06 US disclosed
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 SMYD3 1812/4885MTOR 574/4885P2RY12 4428/4885

“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.