SCHEMBL599774

SCHEMBL599774

CC(C)(C)c1ncc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
DGAT1 O75907 1/20 0.31
NPC1 O15118 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16905563 0.79 KDM4E (0.32) KDM4ERAB9APOLB
SCHEMBL21375246 0.79 KDM4E (0.32) KDM4ERAB9APOLB
SCHEMBL823816 0.74 TSHR (0.33) KDM4ERAB9APOLBDGAT1
SCHEMBL7604249 0.74 APLNR (0.41)
SCHEMBL14595286 0.74 NUDT1 (0.38) KDM4ERAB9ANPC1
SCHEMBL10864216 0.73 ALDH1A1 (0.58) KDM4ERAB9APOLBNPC1
SCHEMBL10105664 0.72 CNR1 (0.31)
SCHEMBL22663608 0.72
SCHEMBL21695568 0.72
SCHEMBL10220412 0.72 CYP19A1 (0.31) RAB9ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139477-A2 Process for preparing 5-substituted pyrimidines ELI LILLY AND COMPANY (US) 1985-05-02 EP claimed
EP-4615836-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF Flagship Pioneering Innovations VI, LLC (US) 2025-09-17 EP disclosed
WO-2024102924-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF FLAGSHIP PIONEERING INNOVATIONS, VI, LLC (US) 2024-05-16 WO disclosed
CN-115010764-B Platinum-aza-carbene complex and synthetic method and application thereof 太原理工大学 2024-03-29 CN disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-2726490-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-04-29 EP disclosed
WO-2015000546-A1 POLYCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-01-08 WO disclosed
WO-2013000531-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-01-03 WO disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
EP-2379513-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-26 EP disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
CN-1886378-A 1,4-disubstituted isoquinilone derivatives as RAF-kinase inhibitors useful for the treatment of proliferative diseases NOVARTIS AG (CH) 2006-12-27 CN disclosed
EP-0139477-A2 Process for preparing 5-substituted pyrimidines ELI LILLY AND COMPANY (US) 1985-05-02 EP 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KDM4E 2722/4885RAB9A 614/4885POLB 2646/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885RAB9A 277/4885POLB 3123/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS KDM4E 1491/4885RAB9A 598/4885POLB 1166/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885RAB9A 277/4885POLB 3123/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 KDM4E 4260/4885RAB9A 2962/4885POLB 859/4885

“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.