SCHEMBL30947339

SCHEMBL30947339

CCCCOc1nc(CO)c(NC(=O)OC(C)(C)C)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
CTSK P43235 1/20 0.36
USP2 O75604 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
APAF1 O14727 1/20 0.35
NR1I2 O75469 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDE P14735 1/20 0.35
UBE2N P61088 1/20 0.35
CACNA1B Q00975 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
DYRK1A Q13627 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL24732687 1.00 ATR (0.36) ATRCTSKUSP2LMNACYP1A2
SCHEMBL24732682 0.93 ATR (0.37) ATRCTSKUSP2LMNACYP1A2
SCHEMBL29977578 0.93 ATR (0.37) ATRCTSKUSP2LMNACYP1A2
SCHEMBL24732684 0.92 ATR (0.34) ATRCTSKUSP2LMNACYP1A2
SCHEMBL30779216 0.88 TLR7 (0.37) CTSKTLR7
SCHEMBL24732919 0.88 TLR7 (0.37) CTSKTLR7
SCHEMBL27213633 0.88 USP2 (0.38) USP2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL24732845 0.87 CACNA1B (0.34) CTSKLMNACACNA1BMKNK2DYRK1A
SCHEMBL24732885 0.84 TSHR (0.38) LMNACYP2D6TSHRMAPTTLR7
SCHEMBL24733112 0.82 POLB (0.36) MAPT

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 ATR 4305/4885CTSK 2152/4885USP2 4109/4885

“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.