SCHEMBL23828912

SCHEMBL23828912

Cn1cnc(-c2ccc(CCNC(=O)O)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.42
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ AOC3 Q16853 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL23840613 0.83 NAMPT (0.47) ALDH1A1LMNA
SCHEMBL23828909 0.78 USP2 (0.49) TP53RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL23828900 0.77 RAB9A (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26972298 0.76 AOC3 (0.44) TP53NPC1RAB9AAOC3SMN1; SMN2
SCHEMBL23828927 0.75 AOC3 (0.49) AOC3ALDH1A1
SCHEMBL15515093 0.75 GPR119 (0.45) TP53NPC1RAB9AAOC3SMN1; SMN2
SCHEMBL23291214 0.74 GPR119 (0.43) AOC3ITGB1ITGA4KMT2AALDH1A1
SCHEMBL23828904 0.74 POLB (0.51) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16112776 0.73 LTA4H (0.46) LMNAHDAC1HDAC6
SCHEMBL12040868 0.71 ALDH1A1 (0.56) TP53NPC1RAB9ASMN1; SMN2KMT2A

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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 — — US disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 — — 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 (2 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 TP53 2047/4885PSEN1 1913/4885PSEN2 2131/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 TP53 2047/4885PSEN1 1913/4885PSEN2 2131/4885

“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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