SCHEMBL29915636

SCHEMBL29915636

CC(C)(C)OC(=O)NCC(=O)N1CCc2c(Cl)nc(Cl)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
MTOR P42345 1/20 0.35
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
DRD2 P14416 2/20 0.33
NAMPT P43490 1/20 0.33
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL21758806 1.00 MEN1 (0.42) MEN1ALDH1A1TSHRKMT2AFNTA
SCHEMBL1832511 0.81 PARP1 (0.47) MEN1KMT2AMTORPARP1TNKS2
SCHEMBL1623383 0.75 POLB (0.43) MEN1KMT2APARP1TNKS2PARP2
SCHEMBL31246480 0.75 PARP1 (0.43) MTORPARP1TNKS2PARP2KDM4E
SCHEMBL21758747 0.74 ACHE (0.41) MEN1TSHRKMT2ASIGMAR1LMNA
SCHEMBL19637802 0.73 KDM4E (0.42) MEN1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL443240 0.72 POLB (0.40) MEN1ALDH1A1KMT2AMTORPARP1
SCHEMBL21758437 0.72 BAZ2B (0.40)
SCHEMBL19820848 0.72 KMT2A (0.56) MEN1ALDH1A1TSHRKMT2AFNTA
SCHEMBL30887681 0.72 ESR2 (0.45) MEN1KMT2AMTORPARP1TNKS2

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-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-02-11 US disclosed
EP-3841102-B1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2022-09-14 EP 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-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 MEN1 4731/4885ALDH1A1 128/4885TSHR 1416/4885

“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.