SCHEMBL1978348

SCHEMBL1978348

COc1cccc(OCCCNC(=O)OC(C)(C)C)c1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
SCN9A Q15858 1/20 0.45
BRD4 O60885 1/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3514820 0.86 MTNR1A (0.61) DRD2CA12CA1CA2CA9
SCHEMBL19007377 0.84 DRD2 (0.46) DRD2CA12CA1CA2CA9
SCHEMBL30773715 0.84 DRD2 (0.52) DRD2CA12CA1CA2CA9
SCHEMBL28527177 0.83 DRD2 (0.45) DRD2CA12CA1CA2CA9
SCHEMBL19007375 0.83 DRD2 (0.45) DRD2CA12CA1CA2CA9
SCHEMBL1972529 0.83 MTNR1A (0.54) CA12CA1CA2CA9MTNR1A
SCHEMBL22642707 0.83 DRD2 (0.51) DRD2CA12CA1CA2CA9
SCHEMBL3922652 0.83 BCHE (0.47) DRD2CA12CA1CA2CA9
SCHEMBL24936189 0.82 KCNH2 (0.50) DRD2CA12CA1CA2CA9
SCHEMBL30522714 0.82 KCNH2 (0.50) DRD2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12558345-B2 CHK1/2 inhibitors for use in the treatment of neuroblastomas and/or soft tissue sarcomas ELI LILLY AND COMPANY (US) 2026-02-24 US disclosed
US-20220378745-A1 CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS ELI LILLY AND COMPANY 2022-12-01 US disclosed
US-20220378745-A1 CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS ELI LILLY AND COMPANY 2022-12-01 US disclosed
US-11123326-B2 CHK1/2 inhibitors and irinotecan for use in the treatment of rhabdomyosarcoma ELI LILLY AND COMPANY (US) 2021-09-21 US disclosed
US-11123326-B2 CHK1/2 inhibitors and irinotecan for use in the treatment of rhabdomyosarcoma ELI LILLY AND COMPANY (US) 2021-09-21 US disclosed
EP-3325468-B1 CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS LILLY CO ELI (US) 2020-11-11 EP disclosed
US-20180369202-A1 CHK1/2 Inhibitors for Use in the Treatment of Neuroblastomas and/or Soft Tissue Sarcomas ELI LILLY AND COMPANY 2018-12-27 US disclosed
EP-2379532-B1 COMPOUNDS USEFUL FOR INHIBITING CHK1 LILLY CO ELI (US) 2013-02-20 EP disclosed
US-8314108-B2 5-(5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile, pharmaceutically acceptable salts thereof, or solvate of salts ELI LILLY AND COMPANY (US) 2012-11-20 US disclosed
US-8314108-B2 5-(5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile, pharmaceutically acceptable salts thereof, or solvate of salts ELI LILLY AND COMPANY (US) 2012-11-20 US disclosed
EP-2379532-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 Eli Lilly and Company (US) 2011-10-26 EP disclosed
US-20110144126-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 ELI LILLY AND COMPANY 2011-06-16 US disclosed
US-20110144126-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 ELI LILLY AND COMPANY 2011-06-16 US disclosed
WO-2010077758-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 ELI LILLY AND COMPANY (US) 2010-07-08 WO disclosed
WO-2010077758-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 ELI LILLY AND COMPANY (US) 2010-07-08 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-20180369202-A1 CHK1/2 Inhibitors for Use in the Treatment of Neuroblastomas and/or Soft Tissue Sarcomas CHEK1, CHEK2, PLK1 DRD2 4489/4885CA12 3940/4885CA1 4551/4885
US-20110144126-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PLK1 DRD2 4461/4885CA12 4459/4885CA1 3809/4885
US-20220378745-A1 CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS CHEK1, CHEK2, PLK1 DRD2 4306/4885CA12 3562/4885CA1 4230/4885
US-12558345-B2 CHK1/2 inhibitors for use in the treatment of neuroblastomas and/or soft tissue sarcomas CHEK1, CHEK2, MRE11 DRD2 4727/4885CA12 4073/4885CA1 4533/4885
US-11123326-B2 CHK1/2 inhibitors and irinotecan for use in the treatment of rhabdomyosarcoma CHEK1, CHEK2, TOP2A DRD2 4313/4885CA12 3075/4885CA1 3964/4885

“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.