SCHEMBL26346644

SCHEMBL26346644

COc1ccc(C(=O)N(C)CC2CCN(c3ccnc4nccnc34)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 1/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
F10 P00742 2/20 0.37
MEN1 O00255 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
PDE4B Q07343 2/20 0.36
DRD2 P14416 1/20 0.36
EGFR P00533 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
SCHEMBL18980281 0.82 F10 (0.54) F10
SCHEMBL26346749 0.75 CTSB (0.36) DRD2
SCHEMBL18980176 0.75 CTSB (0.36)
SCHEMBL26346737 0.73 SIRT2 (0.35) NR1H4
SCHEMBL18980017 0.69 PDE10A (0.42)
SCHEMBL19026586 0.68 ROCK2 (0.43) ROCK2
SCHEMBL18980406 0.66 ROCK2 (0.47) ROCK2
SCHEMBL18979975 0.66 CKS1B (0.40) LMNAKDM4EALDH1A1HPGDDRD2
SCHEMBL18980089 0.65 KDM4E (0.53) LMNAKDM4EUSP2HPGDPDE4B
SCHEMBL26346534 0.64 HRH3 (0.46) KMT2ALMNAKDM4EALDH1A1MEN1

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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KMT2A 1063/4885POLB 1848/4885NR1H4 36/4885

“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.