SCHEMBL428624

SCHEMBL428624

COC(=O)c1cccc(C(=NN)c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.56
SYK P43405 2/20 0.56
IRAK4 Q9NWZ3 2/20 0.56
BRSK1 Q8TDC3 1/20 0.56
FES P07332 1/20 0.51
FER P16591 1/20 0.51
FRK P42685 1/20 0.51
CAMK1D Q8IU85 1/20 0.51
PIKFYVE Q9Y2I7 1/20 0.51
NAPEPLD Q6IQ20 2/20 0.45
PIK3CA P42336 13/20 0.44
PIK3CB P42338 3/20 0.42
AKT1 P31749 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MTOR P42345 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL427015 0.92 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL427017 0.92 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL425076 0.86 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL1880231 0.86 TYK2 (0.66) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110587 0.80 TYK2 (0.68) TYK2SYKIRAK4BRSK1FES
SCHEMBL428623 0.80 TYK2 (0.78) TYK2SYKIRAK4BRSK1FES
SCHEMBL428622 0.80 TYK2 (0.78) TYK2SYKIRAK4BRSK1FES
SCHEMBL3100746 0.79 TYK2 (0.67) TYK2SYKIRAK4BRSK1FES
SCHEMBL427148 0.76 TYK2 (0.62) TYK2SYKIRAK4BRSK1FES
SCHEMBL302070 0.75 TYK2 (0.43) 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 22 patents — showing the first 20. 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 claimed
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US claimed
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP claimed
EP-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 EP claimed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO claimed
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP claimed
WO-2003047516-A2 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2003-06-12 WO claimed
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
EP-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 EP 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-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20050250787-A1 Pyrimidine compounds MADRIGAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
EP-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 EP disclosed
US-6858606-B2 Pyrimidine compounds SYNTA PHARMACEUTICAL CORP. (US) 2005-02-22 US disclosed
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP disclosed
US-20040024206-A1 Pyrimidine compounds MADRIGAL PHARMACEUTICALS, INC. 2004-02-05 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 (7 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-20050250787-A1 Pyrimidine compounds RORC, MTR, CBR1 TYK2 301/4885SYK 133/4885IRAK4 273/4885
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-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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 TYK2 1275/4885SYK 550/4885IRAK4 120/4885
US-20040024206-A1 Pyrimidine compounds CBR1, CCR4, CNR1 TYK2 702/4885SYK 814/4885IRAK4 121/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885

“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.