SCHEMBL1971024

SCHEMBL1971024

COc1ccc(COc2cccc(OC)c2C(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
RXRA P19793 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.50
ABCB1 P08183 2/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMPD1 P17405 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
FFAR1 O14842 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL29788601 1.00 MAOB (0.57) MAOBRXRANPC1RAB9AHTR1A
SCHEMBL24978450 0.89 MAOB (0.73) MAOBRXRANPC1RAB9APOLB
SCHEMBL6451155 0.88 RXRA (0.57) MAOBRXRANPC1RAB9AHTR1A
SCHEMBL4939083 0.87 MAOB (0.53) MAOBRXRANPC1RAB9APOLB
SCHEMBL4941339 0.87 NPC1 (0.53) MAOBRXRANPC1RAB9AHTR1A
SCHEMBL30800458 0.87 MAOB (0.53) MAOBRXRANPC1RAB9APOLB
SCHEMBL24978452 0.87 MAOB (0.50) MAOBRXRANPC1RAB9APOLB
SCHEMBL4520573 0.86 MAOB (0.49) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL12555104 0.85 RXRA (0.46) MAOBRXRANPC1RAB9AHTR1A
SCHEMBL24978176 0.85 MAOB (0.48) MAOBNPC1RAB9APOLBSMN1; 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 31 patents — showing the first 20. 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
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
CN-114728945-B 3, 5-disubstituted pyrazole compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2024-01-16 CN disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 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
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
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
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 (6 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MAOB 4683/4885RXRA 4400/4885NPC1 3820/4885
US-20110144126-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PLK1 MAOB 4835/4885RXRA 4714/4885NPC1 3414/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MAOB 4683/4885RXRA 4400/4885NPC1 3820/4885
US-20220378745-A1 CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS CHEK1, CHEK2, PLK1 MAOB 4592/4885RXRA 4812/4885NPC1 4786/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MAOB 4683/4885RXRA 4400/4885NPC1 3820/4885
US-12558345-B2 CHK1/2 inhibitors for use in the treatment of neuroblastomas and/or soft tissue sarcomas CHEK1, CHEK2, MRE11 MAOB 4712/4885RXRA 4751/4885NPC1 4661/4885

“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.