SCHEMBL31688976

SCHEMBL31688976

c1cnc(-c2cccc3cc[nH]c23)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.47
▸ NUDT1 P36639 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ REN P00797 2/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ PTPN11 Q06124 1/20 0.38
▸ NR3C1 P04150 8/20 0.38
▸ PGR P06401 3/20 0.38
▸ ATR Q13535 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AR P10275 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ BRD4 O60885 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
SCHEMBL15712028 0.81 PRKCI (0.50) AXLNUDT1AHRRENKEAP1
SCHEMBL31492457 0.81 AHR (0.60) AHRRENKEAP1PDPK1NR3C1
SCHEMBL17123043 0.76 MMP2 (0.46) AXLNUDT1AHRRENKEAP1
SCHEMBL18000230 0.76 PIK3CD (0.54) AXLNUDT1AHRRENKEAP1
Quinoline SCHEMBL27719790 0.74 ALDH1A1 (0.50) AXLNUDT1AHRRENKEAP1
SCHEMBL30752381 0.74 ADRA1A (0.43) AXLNUDT1AHRRENKEAP1
SCHEMBL15617226 0.73 PDE10A (0.42) AXLNUDT1AHRRENKEAP1
SCHEMBL28980960 0.73 IDO1 (0.49) AHRRENKEAP1PDPK1
SCHEMBL12676642 0.73 AHR (0.43) AXLNUDT1AHRRENKEAP1
SCHEMBL30741488 0.73 AHR (0.43) AXLNUDT1AHRRENKEAP1

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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP AXL 1389/4885NUDT1 3382/4885AHR 4043/4885

“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.

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