SCHEMBL31730929

SCHEMBL31730929

COc1cnn(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(C4CC4)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.46
▸ CNR1 P21554 7/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC1 Q13547 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NOS1 P29475 1/20 0.35

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
SCHEMBL25733267 1.00 CNR2 (0.46) CNR2CNR1ALDH1A1CYP1A2HSD17B10
SCHEMBL25733192 0.86 KDM4E (0.42) ALDH1A1HSD17B10TSHRCASP1HDAC1
SCHEMBL31731022 0.86 KDM4E (0.42) ALDH1A1HSD17B10TSHRCASP1HDAC1
SCHEMBL31730864 0.86 EGLN1 (0.40) CNR2CNR1ALDH1A1CYP1A2HSD17B10
SCHEMBL25733329 0.86 EGLN1 (0.40) CNR2CNR1ALDH1A1CYP1A2HSD17B10
SCHEMBL25232694 0.85 EGLN1 (0.44) CNR2CNR1ALDH1A1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL25281828 0.84 EGLN1 (0.43) CNR2CNR1ALDH1A1CYP1A2HSD17B10
SCHEMBL31730946 0.83 CNR2 (0.43) CNR2CNR1ALDH1A1CYP1A2HSD17B10
SCHEMBL25733331 0.83 CNR2 (0.43) CNR2CNR1ALDH1A1CYP1A2HSD17B10
SCHEMBL31730971 0.83 CNR2 (0.43) CNR2CNR1ALDH1A1CYP1A2HSD17B10

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-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 — — 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-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE CNR2 4215/4885CNR1 4210/4885ALDH1A1 4617/4885

“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.

Send feedback