SCHEMBL25263605

SCHEMBL25263605

CCCCNc1nc(SC)nc(N)c1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ TLR8 Q9NR97 9/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ LMNA P02545 4/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL22573575 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL7849089 0.77 KDM4E (0.58) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL22573664 0.75 KDM4E (0.49) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL11727584 0.74 LMNA (0.49) ALDH1A1SMN1; SMN2TLR8CYP1A2CYP3A4
SCHEMBL1899942 0.74 TSHR (0.47) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL28456194 0.72 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL26173556 0.72 LMNA (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ATLR8
SCHEMBL11622375 0.71 LMNA (0.57) ALDH1A1SMN1; SMN2RAB9ATLR8CYP1A2
SCHEMBL9296297 0.69 LMNA (0.41) ALDH1A1SMN1; SMN2TLR8CYP1A2CYP3A4
SCHEMBL22573567 0.69 LMNA (0.41) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059183-A1 PYRIDINE[4,3-D]PYRIMIDINE COMPOUND AS TLR7/8 AGONIST SHANGHAI VISONPHARMA CO., LTD. (CN) 2025-02-20 — — US disclosed
EP-4446323-A1 PYRIDINE[4,3-D]PYRIMIDINE COMPOUND AS TLR7/8 AGONIST Shanghai Visonpharma Co., Ltd. (CN) 2024-10-16 — — EP disclosed
WO-2023104165-A1 PYRIDINE[4,3-D]PYRIMIDINE COMPOUND AS TLR7/8 AGONIST 上海维申医药有限公司 2023-06-15 — — WO 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-20250059183-A1 PYRIDINE[4,3-D]PYRIMIDINE COMPOUND AS TLR7/8 AGONIST TLR7, TLR8, TLR1 ALDH1A1 2284/4885SMN1; SMN2 4339/4885NPC1 2083/4885

“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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