SCHEMBL246983

SCHEMBL246983

Cl[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.80
CYP3A4 P08684 1/20 0.80
ESR1 P03372 4/20 0.57
ESR2 Q92731 4/20 0.57
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 5/20 0.37
NPSR1 Q6W5P4 1/20 0.34
DRD1 P21728 2/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 1/20 0.32
BBOX1 O75936 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
LMNA P02545 2/20 0.32
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL5390312 1.00 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL3355541 1.00 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL30213620 1.00 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL561726 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL81285 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL3181354 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL9420677 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL2387556 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1951204 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Benzene SCHEMBL6890099 0.89 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250230169-A1 Phosphoinositide 3-Kinase Inhibitors with a Zinc Binding Moiety CURIS INC (US) 2025-07-17 US disclosed
US-11597732-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2023-03-07 US disclosed
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2022-12-22 US disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
US-10894795-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2021-01-19 US disclosed
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2020-10-29 US disclosed
US-10676482-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2020-06-09 US disclosed
EP-3381916-B1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-15 EP disclosed
US-20190352310-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2019-11-21 US disclosed
US-10370372-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-08-06 US disclosed
EP-1015429-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA Du Pont Pharmaceuticals Company (US) 2000-07-05 EP disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
US-5925637-A ENZYME INHIBITORS AS ANTIARTHRITIC AGENTS OR CARDIOVASCULAR DISORDERS BAYER CORPORATION (US) 1999-07-20 US disclosed
WO-1999012903-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-18 WO disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
US-5635108-A A HEXYNEDIENE DERIVATIVE CHISSO CORPORATION (JP) 1997-06-03 US disclosed
WO-1997009983-A1 PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1997-03-20 WO disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed
US-5493046-A A 1-((4-PHENYL)PHENYL)-METHYLENE)IMIDAZOLE ROUSSEL-UCLAF (FR) 1996-02-20 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 (8 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-11597732-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB TDP1 866/4885CYP3A4 4758/4885ESR1 3964/4885
US-20250230169-A1 Phosphoinositide 3-Kinase Inhibitors with a Zinc Binding Moiety BAZ2A, BAZ2B, PI4KB TDP1 880/4885CYP3A4 4747/4885ESR1 3979/4885
US-10894795-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB TDP1 866/4885CYP3A4 4758/4885ESR1 3964/4885
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB TDP1 866/4885CYP3A4 4758/4885ESR1 3964/4885
US-10370372-B2 Fused pyrimidine compound or salt thereof AR, NR5A1, FSHR TDP1 1673/4885CYP3A4 2423/4885ESR1 36/4885
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB TDP1 880/4885CYP3A4 4747/4885ESR1 3979/4885
US-10676482-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB TDP1 880/4885CYP3A4 4747/4885ESR1 3979/4885
US-20190352310-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB TDP1 880/4885CYP3A4 4747/4885ESR1 3979/4885

“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.