SCHEMBL425033

SCHEMBL425033

COc1cccc(C=NNc2nc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.62
▸ SYK P43405 2/20 0.62
▸ IRAK4 Q9NWZ3 2/20 0.62
▸ PIKFYVE Q9Y2I7 2/20 0.62
▸ FES P07332 1/20 0.62
▸ FER P16591 1/20 0.62
▸ FRK P42685 1/20 0.62
▸ CAMK1D Q8IU85 1/20 0.62
▸ KMT2A Q03164 4/20 0.51
▸ BRSK1 Q8TDC3 1/20 0.49
▸ LMNA P02545 6/20 0.48
▸ MAPT P10636 7/20 0.48
▸ GAA P10253 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TEX264 Q9Y6I9 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45

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
SCHEMBL425032 1.00 TYK2 (0.62) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL426264 0.90 PIKFYVE (0.75) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL426265 0.90 PIKFYVE (0.75) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL14529975 0.82 FES (0.63) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL303142 0.79 TYK2 (0.62) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL303143 0.79 TYK2 (0.62) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL3088439 0.79 MAPT (0.62) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL10195928 0.79 MAPT (0.62) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL3325959 0.79 MAPT (0.62) TYK2SYKIRAK4PIKFYVEFES
SCHEMBL13758991 0.78 FES (0.45) TYK2SYKIRAK4PIKFYVEFES

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 — — US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 — — US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 — — US disclosed
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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 — — 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-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — 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
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 (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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 TYK2 826/4885SYK 1106/4885IRAK4 381/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 TYK2 2409/4885SYK 3624/4885IRAK4 2390/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 TYK2 2409/4885SYK 3624/4885IRAK4 2390/4885
US-20020082259-A1 Triazine compounds CBR1, CBR3, SCO2 TYK2 1494/4885SYK 1659/4885IRAK4 3814/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 TYK2 1275/4885SYK 550/4885IRAK4 120/4885
US-20040053926-A1 Triazine compounds CBR1, CBR3, SCO2 TYK2 1494/4885SYK 1659/4885IRAK4 3814/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885
US-20060069090-A1 Triazine compounds SCO2, NOXO1, NR2C2 TYK2 123/4885SYK 139/4885IRAK4 3200/4885

“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.

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