SCHEMBL1758550

SCHEMBL1758550

OCc1ccc(C2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR2 Q92731 11/20 0.40
ESR1 P03372 6/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
MBOAT4 Q96T53 1/20 0.40
CYP2D6 P10635 1/20 0.36
CCR1 P32246 1/20 0.34

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
SCHEMBL20400882 0.92 KDM4E (0.51) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL23530231 0.92 KDM4E (0.47) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20400417 0.91 KDM4E (0.54) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL10181863 0.88 QDPR (0.49) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29515354 0.88 PRMT5 (0.41) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL24323890 0.88 PRMT5 (0.41) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL25298244 0.85 KDM4E (0.40) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL31371169 0.81 PRMT5 (0.38) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1577753 0.81 KDM4E (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL15805581 0.80 MBOAT4 (0.43) KDM4EGLAHTTKMT2ASMN1; SMN2

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 21 patents — showing the first 20. 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
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230078112-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. 2023-03-16 US disclosed
WO-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
CN-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN 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-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
CN-112979655-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2021-06-18 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
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
EP-2493513-A1 RADIOLABELLED PDE10 LIGANDS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
WO-2011051324-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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 (5 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 3719/4885GLA 2496/4885HTT 2489/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 KDM4E 4228/4885GLA 3518/4885HTT 3406/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 KDM4E 3851/4885GLA 2103/4885HTT 3226/4885
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS PDE9A, PDE10A, PDE7A KDM4E 1160/4885GLA 486/4885HTT 3471/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 KDM4E 3903/4885GLA 3483/4885HTT 530/4885

“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.