SCHEMBL1720046

SCHEMBL1720046

NNc1cc(N2CCOCC2)nc(OCCc2cccc[n+]2[O-])n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.66
SYK P43405 2/20 0.66
IRAK4 Q9NWZ3 2/20 0.66
BRSK1 Q8TDC3 1/20 0.66
FES P07332 1/20 0.44
FER P16591 1/20 0.44
FRK P42685 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
PIKFYVE Q9Y2I7 1/20 0.44
PIK3CB P42338 7/20 0.40
PRKDC P78527 1/20 0.39
PIK3CA P42336 7/20 0.37
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1724925 0.86 TYK2 (0.47) TYK2SYKIRAK4BRSK1FES
SCHEMBL422333 0.80 PIKFYVE (0.74) TYK2SYKIRAK4BRSK1FES
SCHEMBL13333780 0.80 PIKFYVE (0.74) TYK2SYKIRAK4BRSK1FES
SCHEMBL1616481 0.80 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL30273130 0.80 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL31025329 0.80 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL2073676 0.78 SYK (0.64) TYK2SYKIRAK4BRSK1FES
SCHEMBL3355321 0.76 TYK2 (0.76) TYK2SYKIRAK4BRSK1FES
SCHEMBL1377798 0.75 TYK2 (0.64) TYK2SYKIRAK4BRSK1FES
SCHEMBL23755374 0.75 TYK2 (0.61) TYK2SYKIRAK4BRSK1FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 EP 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-7470681-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-12-30 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
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
US-20060030560-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-02-09 US disclosed
US-6958332-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2005-10-25 US disclosed
EP-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 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
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP disclosed
US-20040053937-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. 2004-03-18 US disclosed
US-6660733-B2 Induce immunology response SYNTA PHARMACEUTICALS CORP. 2003-12-09 US disclosed
US-20030114446-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. 2003-06-19 US disclosed
WO-2003047516-A2 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2003-06-12 WO 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 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-20040053937-A1 Pyrimidine compounds CCNO, CNR1, CBR1 TYK2 1328/4885SYK 2584/4885IRAK4 2350/4885
US-20030114446-A1 Pyrimidine compounds CCNO, CNR1, CBR1 TYK2 1224/4885SYK 2693/4885IRAK4 2272/4885
US-20060030560-A1 Pyrimidine compounds CCNO, CCNC, TYMS TYK2 383/4885SYK 309/4885IRAK4 2984/4885

“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.