SCHEMBL519701

SCHEMBL519701

O=C1NCC[N]c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.48
PARP11 Q9NR21 7/20 0.48
PARP10 Q53GL7 6/20 0.48
PDPK1 O15530 1/20 0.48
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
NISCH Q9Y2I1 3/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL11011352 0.80 CA12 (0.45) PARP1PARP11PARP10PDPK1CA12
SCHEMBL5568 0.71 NISCH (0.38) NISCH
SCHEMBL2088396 0.69 MAOA (0.42)
SCHEMBL794250 0.69 PARP11 (0.44) PARP1PARP11PARP10PDPK1CA12
SCHEMBL2995811 0.69 CA12 (0.52) PARP1PARP11PARP10PDPK1CA12
SCHEMBL519700 0.69 NOS2 (0.39) PARP1PARP11PARP10PDPK1CA12
SCHEMBL4455970 0.69 PARP1 (0.57) PARP1PARP11PARP10PDPK1CA12
SCHEMBL11870795 0.68 NISCH (0.51) PARP1PARP11PARP10PDPK1NISCH
SCHEMBL11870789 0.68 NISCH (0.51) PARP1PARP11PARP10PDPK1NISCH
SCHEMBL2515394 0.68 CA12 (0.41) PARP1PARP11PARP10PDPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-11969473-B2 Multifunctional conjugates E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2024-04-30 US disclosed
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-04-30 US disclosed
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2024-04-04 US disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed
WO-2023233148-A1 CANCER THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL, (GB) 2023-12-07 WO disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-26 US disclosed
EP-3596061-B1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER ARGONAUT THERAPEUTICS LTD (GB) 2023-09-06 EP disclosed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2011087822-A1 PROTEASOME INHIBITORS AND PROCESSES FOR THEIR PREPARATION, PURIFICATION AND USE CEPHALON, INC. (US) 2011-07-21 WO disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 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 (9 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-11969473-B2 Multifunctional conjugates MKI67, ACP3, CD44 PARP1 369/4885PARP11 113/4885PARP10 536/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET PARP1 707/4885PARP11 668/4885PARP10 1785/4885
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS KRAS, NRAS, HRAS PARP1 4328/4885PARP11 2845/4885PARP10 2450/4885
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CDC7, CDK7, CDK17 PARP1 1174/4885PARP11 991/4885PARP10 1363/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PARP1 2964/4885PARP11 2854/4885PARP10 2181/4885
US-11724999-B2 Inhibitors of RAS-effector protein interactions KRAS, NRAS, HRAS PARP1 3580/4885PARP11 1919/4885PARP10 1709/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 PARP1 4486/4885PARP11 4298/4885PARP10 3772/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PARP1 414/4885PARP11 494/4885PARP10 517/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS PARP1 3833/4885PARP11 1746/4885PARP10 1573/4885

“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.