SCHEMBL23828904

SCHEMBL23828904

Cn1cnnc1-c1ccc(CCNC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ PLAAT3 P53816 1/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT2 Q9NWW9 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL23828896 0.84 AKT1 (0.49) POLBALDH1A1LMNAHTTMAPT
SCHEMBL23828929 0.76 TAAR1 (0.46) ALDH1A1KDM4EHSD11B1
SCHEMBL23828912 0.74 TP53 (0.42) NPC1RAB9AALDH1A1TP53THRB
SCHEMBL23828909 0.74 USP2 (0.49) POLBRAB9AALDH1A1TP53THRB
SCHEMBL1728418 0.72 CNR1 (0.59) LMNAHTTPLAAT5PLAAT4
SCHEMBL4584283 0.71 NPC1 (0.64) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL23828908 0.71 ROCK2 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL4511148 0.70 KDM4E (0.52) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3658697 0.69 L3MBTL1 (0.59) POLBNPC1RAB9AALDH1A1LMNA
SCHEMBL14020814 0.69 PTK2 (0.45) POLBNPC1RAB9AALDH1A1LMNA

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 POLB 4559/4885NPC1 1520/4885RAB9A 2869/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 POLB 4559/4885NPC1 1520/4885RAB9A 2869/4885

“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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