SCHEMBL22717528

SCHEMBL22717528

COC(=O)c1cc(CC#N)ncc1-c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ THRB P10828 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 6/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PLA2G2A P14555 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ THRA P10827 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
SCHEMBL29575407 0.89 DHODH (0.42) HTTTHRBNPC1RAB9AALDH1A1
SCHEMBL22717565 0.89 DHODH (0.42) HTTTHRBNPC1RAB9AALDH1A1
SCHEMBL22731928 0.89 CDC7 (0.43) HTTNPSR1THRBNPC1RAB9A
SCHEMBL22717582 0.86 VDR (0.46) VDRSMN1; SMN2MAPTHSP90AA1HTT
SCHEMBL29575360 0.86 VDR (0.46) VDRSMN1; SMN2MAPTHSP90AA1HTT
SCHEMBL22717445 0.85 ALDH1A1 (0.47) VDRSMN1; SMN2MAPTHSP90AA1HTT
SCHEMBL22717397 0.82 POLQ (0.53) VDRSMN1; SMN2MAPTHSP90AA1HTT
SCHEMBL22717423 0.79 SLC6A3 (0.47) VDRSMN1; SMN2MAPTHSP90AA1HTT
SCHEMBL22717267 0.79 ALDH1A1 (0.50) VDRSMN1; SMN2MAPTHSP90AA1HTT
SCHEMBL29574586 0.79 SLC6A3 (0.47) VDRSMN1; SMN2MAPTHSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049074-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. (US) 2026-02-19 — — US disclosed
US-12509454-B2 Thiadiazolyl derivatives IDEAYA BIOSCIENCES, INC. (US) 2025-12-30 — — US disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
US-20230078112-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. 2023-03-16 — — US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 — — EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 — — CN disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — 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 (3 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-20260049074-A1 THIADIAZOLYL DERIVATIVES POLH, POLM, POLD1 VDR 1100/4885SMN1; SMN2 4185/4885MAPT 4800/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 VDR 1826/4885SMN1; SMN2 3104/4885MAPT 3793/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 VDR 1750/4885SMN1; SMN2 1964/4885MAPT 2801/4885

“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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