SCHEMBL4460248

SCHEMBL4460248

COC(=O)c1cc2ccncc2nc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
CYP46A1 Q9Y6A2 1/20 0.41
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AXL P30530 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
KMT2A Q03164 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
SCHEMBL26617508 0.84 TSHR (0.45) KDM4EALDH1A1CA12CA1CA2
SCHEMBL30681983 0.84 TSHR (0.45) KDM4EALDH1A1CA12CA1CA2
SCHEMBL3263651 0.84 KDM4E (0.49) KDM4EGAAALDH1A1GLACYP46A1
SCHEMBL3264513 0.81 KDM4C (0.44) KDM4EGAAALDH1A1L3MBTL1HTT
SCHEMBL16234345 0.80 KDM4E (0.51) KDM4EALDH1A1LMNARXFP1ALOX15
SCHEMBL23043865 0.79 KDM4E (0.57) KDM4EGAAALDH1A1GLACYP46A1
SCHEMBL29760386 0.79 KDM4E (0.57) KDM4EGAAALDH1A1GLACYP46A1
SCHEMBL29707053 0.79 KDM4E (0.57) KDM4EGAAALDH1A1GLACYP46A1
SCHEMBL22717316 0.75 ALDH1A1 (0.47) KDM4EGAAALDH1A1GLALMNA
SCHEMBL3259682 0.75 CSNK2A2 (0.47) KDM4EGAAALDH1A1GLACYP46A1

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 13 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
WO-2010016846-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-02-11 WO disclosed
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-02-26 US disclosed
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-02-26 US disclosed
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-02-26 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 (4 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 KDM4E 3719/4885GAA 2465/4885ALDH1A1 2481/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 KDM4E 3851/4885GAA 1146/4885ALDH1A1 1907/4885
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPBAR1, GPR119, PLAAT5 KDM4E 3111/4885GAA 876/4885ALDH1A1 2559/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 KDM4E 3903/4885GAA 2449/4885ALDH1A1 1747/4885

“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.