SCHEMBL3326516

SCHEMBL3326516

COc1ccc(CCCc2nc(NN)nc(N3CCOCC3)n2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALOX15 P16050 2/20 0.65
LMNA P02545 3/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL3322289 0.85 MEN1 (0.60) MEN1KMT2AALOX15LMNATSHR
SCHEMBL1374503 0.82 MEN1 (0.52) MEN1KMT2AALOX15LMNATSHR
SCHEMBL424448 0.79 MEN1 (0.51) MEN1KMT2AALOX15LMNATSHR
SCHEMBL13758955 0.79 CYP3A4 (0.51) MEN1KMT2AALOX15TSHRSMN1; SMN2
SCHEMBL3323222 0.77 MAPT (0.60) MEN1KMT2AALOX15LMNANPSR1
SCHEMBL1377779 0.76 KMT2A (0.52) MEN1KMT2AALOX15LMNAGAA
SCHEMBL13758969 0.76 FOXO1 (0.49) MEN1KMT2AALOX15LMNATSHR
SCHEMBL912585 0.74 ALDH1A1 (0.50) MEN1KMT2ALMNATSHRGAA
SCHEMBL1373842 0.70 MEN1 (0.52) MEN1KMT2AALOX15LMNATSHR
SCHEMBL4402279 0.69 MEN1 (0.51) MEN1KMT2AALOX15GAASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US disclosed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US disclosed
US-7045517-B2 Used to treat disorders associated with interleukin-12 overproduction; antiarthritic, antidiabetics; treating sepsis, Crohn's disease, multiple sclerosis, or psoriasis SYNTA PHARMACEUTICALS CORP. (US) 2006-05-16 US disclosed
US-20060069090-A1 Triazine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-03-30 US disclosed
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO disclosed
US-20040053926-A1 Triazine compounds SYNTA PHARMACEUTICALS CORP., A DELAWARE CORPORATION 2004-03-18 US disclosed
US-6680315-B2 COMPOUNDS THAT DOWN-REGULATE INTERLEUKIN-12 PRODUCTION USED FOR TREATING INFLAMMATORY DISEASES: RHEUMATOID ARTHRITIS, SEPSIS, CHROHN'S DISEASE, MULTIPLE SCLEROSIS, PSORIASIS OR INSULIN-DEPENDENT DIABETES SYNTA PHARMACEUTICALS CORP. 2004-01-20 US disclosed
US-20020082259-A1 Triazine compounds SYNTA PHARMACEUTICALS CORP. 2002-06-27 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 (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-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 MEN1 149/4885KMT2A 2431/4885ALOX15 3088/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 MEN1 149/4885KMT2A 2431/4885ALOX15 3088/4885
US-20020082259-A1 Triazine compounds CBR1, CBR3, SCO2 MEN1 4394/4885KMT2A 2009/4885ALOX15 1387/4885
US-20040053926-A1 Triazine compounds CBR1, CBR3, SCO2 MEN1 4394/4885KMT2A 2009/4885ALOX15 1387/4885
US-20060069090-A1 Triazine compounds SCO2, NOXO1, NR2C2 MEN1 4567/4885KMT2A 3110/4885ALOX15 1536/4885

“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.