SCHEMBL24997892

SCHEMBL24997892

CCc1[nH]nnc1-c1ccc(CC(C)c2nn[nH]n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ ECE1 P42892 7/20 0.36
▸ MME P08473 6/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HCAR3 P49019 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MMEL1 Q495T6 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL28364743 0.70 MEN1 (0.40) ALDH1A1NPC1RAB9ANPSR1
SCHEMBL15912446 0.69 TNIK (0.32) TP53
SCHEMBL14498353 0.68 PTGS1 (0.40) ALDH1A1NPC1RAB9ANPSR1
SCHEMBL25922341 0.66 CYP1A2 (0.51) CYP1A2
SCHEMBL5790978 0.64 CYP1A2 (0.43) CYP1A2ECE1MMEAGTR2MMEL1
SCHEMBL13090823 0.64 — —
SCHEMBL16509726 0.64 — —
SCHEMBL12868224 0.62 TP53 (0.67) TP53ALDH1A1NPC1RAB9ANPSR1
SCHEMBL23469441 0.61 NAALAD2 (0.40) TP53CYP1A2ALDH1A1HCAR3HCAR2
SCHEMBL25146364 0.61 TP53 (0.65) TP53ALDH1A1NPC1RAB9ANPSR1

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-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 — — 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-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 TP53 465/4885CYP1A2 2414/4885ECE1 1623/4885

“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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