SCHEMBL30745941

SCHEMBL30745941

CCCCOC(=O)N1CCc2c(nc(-c3ccccc3)nc2-c2ccn(C)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.39
MTOR P42345 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
EGFR P00533 1/20 0.38
P2RX7 Q99572 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL25344806 0.84 NPC1 (0.47) MTORP2RX7ADORA1
SCHEMBL25343317 0.84 MTOR (0.46) MTORP2RX7
SCHEMBL30745937 0.82 SMYD3 (0.44) P2RY12MTORPTGDR2P2RX7PPARG
SCHEMBL25342685 0.80 P2RX7 (0.40) MTOREGFRP2RX7
SCHEMBL30745930 0.78 OPRD1 (0.38) P2RY12PTGDR2EGFRADORA3SMYD3
SCHEMBL25342589 0.77 ADORA1 (0.45) ADORA3ADORA1
SCHEMBL25340780 0.77 MTOR (0.47) MTOR
SCHEMBL30613801 0.76 P2RY12 (0.42) P2RY12ADORA3ADORA1
SCHEMBL25343381 0.74 PARP1 (0.42) MTORP2RX7
SCHEMBL25343007 0.73 MTOR (0.37) MTOREGFRP2RX7

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 P2RY12 4428/4885MTOR 574/4885PTGDR2 1288/4885

“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.