SCHEMBL518841

SCHEMBL518841

O=C1N[CH]c2ccccc2CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PARP1 P09874 3/20 0.38
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.33
PDPK1 O15530 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
TYRO3 Q06418 1/20 0.33
NTRK2 Q16620 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AURKA O14965 2/20 0.32
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31
MAP3K9 P80192 1/20 0.31
MAP3K11 Q16584 1/20 0.31

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
SCHEMBL14061414 0.75 CA12 (0.56) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL1738013 0.71 AHR (0.47) CA12CA9CYP1A2GAAAHR
SCHEMBL14581370 0.70 CA12 (0.68) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL11128890 0.69 PARP1 (0.48) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL6630181 0.69 NPC1 (0.48) PARP1CYP1A2PDPK1PARP10PARP11
SCHEMBL2948 0.69
SCHEMBL28776095 0.67
SCHEMBL517634 0.67 ALOX15 (0.52) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL29749158 0.67 ALOX15 (0.52) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL517635 0.67 ALOX15 (0.52) CA12CA9PARP1ALOX15HSD17B10

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 99 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-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-11969473-B2 Multifunctional conjugates E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2024-04-30 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
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-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-8541590-B2 Proteasome inhibitors and processes for their preparation, purification and use CEPHALON, INC. (US) 2013-09-24 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120270840-A1 Proteasome inhibitors and processes for their preparation, purification and use CEPHALON INC. (US) 2012-10-25 US disclosed
WO-2012125603-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-09-20 WO disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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 CA12 484/4885CA9 292/4885PARP1 369/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CA12 2894/4885CA9 1403/4885PARP1 707/4885
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS KRAS, NRAS, HRAS CA12 4335/4885CA9 4357/4885PARP1 4328/4885
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CDC7, CDK7, CDK17 CA12 4839/4885CA9 4231/4885PARP1 1174/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO CA12 4883/4885CA9 4876/4885PARP1 2964/4885
US-20120270840-A1 Proteasome inhibitors and processes for their preparation, purification and use PSMB1, PSMB11, PSMB7 CA12 3556/4885CA9 2269/4885PARP1 608/4885
US-11724999-B2 Inhibitors of RAS-effector protein interactions KRAS, NRAS, HRAS CA12 4690/4885CA9 4160/4885PARP1 3580/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CA12 2894/4885CA9 1403/4885PARP1 707/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 CA12 3686/4885CA9 1945/4885PARP1 4486/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CA12 4169/4885CA9 4168/4885PARP1 414/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS CA12 4062/4885CA9 3683/4885PARP1 3833/4885

“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.