SCHEMBL29108435

SCHEMBL29108435

Nc1nnc(OCc2ccc(CO)cn2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.36
▸ PI4KA P42356 2/20 0.36
▸ PI4KB Q9UBF8 2/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MGAM O43451 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SI P14410 2/20 0.34
▸ MGAM2 Q2M2H8 2/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29108379 0.84 GABRA5 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29694744 0.82 PIK3CA (0.34) PIK3CAPI4KAPI4KBMGAMGAA
SCHEMBL24499601 0.82 PIK3CA (0.34) PIK3CAPI4KAPI4KBMGAMGAA
SCHEMBL30640165 0.81 MBOAT4 (0.49) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL29108441 0.81 MBOAT4 (0.49) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL22717514 0.79 MEN1 (0.41) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL22717489 0.79 ALDH1A1 (0.43) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL22717648 0.79 RAB9A (0.43) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL29108491 0.78 PIK3CD (0.31) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL29108503 0.78 TSHR (0.43) PIK3CAPI4KAPI4KBPIK3CDPIK3CB

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-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

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 PIK3CA 198/4885PI4KA 210/4885PI4KB 168/4885

“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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