SCHEMBL869256

SCHEMBL869256

O=c1[nH]cnc2cnc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.59
IP6K1 Q92551 4/20 0.54
KDM4A O75164 1/20 0.51
KDM4B O94953 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
CHEK1 O14757 2/20 0.50
PIM1 P11309 2/20 0.50
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
PIM3 Q86V86 1/20 0.50
IP6K3 Q96PC2 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
PDPK1 O15530 1/20 0.47
CA12 O43570 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA9 Q16790 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
SCHEMBL6836452 0.85 PARP1 (0.59) PARP1IP6K1KDM4AKDM4BKDM5C
SCHEMBL7657502 0.78 PARP1 (0.59) PARP1IP6K1KDM4AKDM4BKDM5C
SCHEMBL669366 0.78 PARP1 (0.59) PARP1IP6K1KDM4AKDM4BKDM5C
SCHEMBL7970843 0.78 PARP1 (0.59) PARP1IP6K1KDM4AKDM4BKDM5C
SCHEMBL2427721 0.77 PARP1 (0.62) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL29709603 0.74 PARP1 (1.00) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL2191067 0.74 PARP1 (1.00) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL6364139 0.74 PARP1 (0.50) PARP1IP6K1KDM4AKDM4BKDM5C
SCHEMBL21331974 0.74 PARP1 (0.54) PARP1IP6K1KDM4AKDM4BKDM5C
SCHEMBL6769666 0.74 IP6K1 (0.50) PARP1IP6K1KDM4AKDM4BKDM5C

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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US claimed
CN-111247152-B Cyclic iminopyrimidine derivatives as kinase inhibitors 璧辰医药技术股份有限公司 2024-07-16 CN disclosed
US-11932647-B2 Cyclic iminopyrimidine derivatives as kinase inhibitors ABM THERAPEUTICS CORPORATION (US) 2024-03-19 US disclosed
EP-3684772-B1 CYCLIC IMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ABM THERAPEUTICS CORP (US) 2023-12-06 EP disclosed
US-20230121116-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
EP-4097140-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS Board of Regents, The University of Texas System (US) 2022-12-07 EP disclosed
CN-115427456-A Use of quinazoline-based tyrosine kinase inhibitors in the treatment of cancer with NRG1 fusion 得克萨斯州大学系统董事会 2022-12-02 CN disclosed
US-20220251089-A1 CYCLIC IMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ABM THERAPEUTICS CORPORATION (CA) 2022-08-11 US disclosed
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-06-23 US disclosed
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-06-23 US disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
US-6313292-B1 REACTION FROM 5-AMINO-2-FLUOROPYRIDINE; AMINATION, CYCLIZATION, CHLORINATION, SALT FORMATION, DECHLORINATION, DEBLOCKING WARNER-LAMBERT COMPANY 2001-11-06 US disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
WO-1997026259-A1 IMPROVED PROCESS FOR PREPARING 4,6-DISUBSTITUTED PYRIDO[3,4-d]PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 PARP1 4178/4885IP6K1 1521/4885KDM4A 2593/4885
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR PARP1 1262/4885IP6K1 637/4885KDM4A 3367/4885
US-20220251089-A1 CYCLIC IMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS BRAF, CDK4, RAF1 PARP1 276/4885IP6K1 130/4885KDM4A 2046/4885
US-20230121116-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS ERBB2, ERBB3, ERBB4 PARP1 3087/4885IP6K1 1884/4885KDM4A 2854/4885
US-11932647-B2 Cyclic iminopyrimidine derivatives as kinase inhibitors BRAF, CDK4, RAF1 PARP1 276/4885IP6K1 130/4885KDM4A 2046/4885

“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.