SCHEMBL29695046

SCHEMBL29695046

COc1ccc(COc2nnc(N)s2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MBOAT4 Q96T53 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29108351 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKDM4ETP53
SCHEMBL29695041 0.85 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4ETP53
SCHEMBL29108237 0.85 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4ETP53
SCHEMBL22717489 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHPGDKDM4ETP53
SCHEMBL29694692 0.82 MBOAT4 (0.44) ALDH1A1KDM4ETP53HSD17B10RAB9A
SCHEMBL29108238 0.82 MBOAT4 (0.44) ALDH1A1KDM4ETP53HSD17B10RAB9A
SCHEMBL22717648 0.79 RAB9A (0.43) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL22717514 0.79 MEN1 (0.41) ALDH1A1LMNAKDM4ERAB9ANPC1
SCHEMBL29108420 0.79 NOS1 (0.47) ALDH1A1LMNAHPGDKDM4ETP53
SCHEMBL29695022 0.79 MBOAT4 (0.41) ALDH1A1LMNAHPGDKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2025-10-23 — — US disclosed
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
EP-4255573-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2023-10-11 — — EP disclosed
WO-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 — — 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-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLH ALDH1A1 2200/4885LMNA 2322/4885HPGD 340/4885

“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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