SCHEMBL423586

SCHEMBL423586

Brc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.82
SYK P43405 2/20 0.82
IRAK4 Q9NWZ3 2/20 0.82
FES P07332 1/20 0.82
FER P16591 1/20 0.82
FRK P42685 1/20 0.82
CAMK1D Q8IU85 1/20 0.82
PIKFYVE Q9Y2I7 1/20 0.82
BRSK1 Q8TDC3 1/20 0.65
KDM4E B2RXH2 7/20 0.53
MAPT P10636 7/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
SENP6 Q9GZR1 3/20 0.53
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 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
SCHEMBL423587 1.00 TYK2 (0.82) TYK2SYKIRAK4FESFER
SCHEMBL18115391 0.92 TYK2 (0.85) TYK2SYKIRAK4FESFER
SCHEMBL18115397 0.92 TYK2 (0.85) TYK2SYKIRAK4FESFER
SCHEMBL13758964 0.92 TYK2 (0.69) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL426299 0.90 PIKFYVE (1.00) TYK2SYKIRAK4FESFER
SCHEMBL424541 0.90 TYK2 (0.82) TYK2SYKIRAK4FESFER
SCHEMBL428783 0.90 TYK2 (0.82) TYK2SYKIRAK4FESFER
SCHEMBL426792 0.90 TYK2 (0.82) TYK2SYKIRAK4FESFER
SCHEMBL428784 0.90 TYK2 (0.82) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL426300 0.90 PIKFYVE (1.00) TYK2SYKIRAK4FESFER

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 41 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
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 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-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. 2018-04-05 US disclosed
US-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. 2018-04-05 US disclosed
WO-2016168420-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. (US) 2016-10-20 WO disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
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-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 (6 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-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-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS GAA, GBA1, MAN2B1 TYK2 4587/4885SYK 3861/4885IRAK4 4107/4885
US-20040024206-A1 Pyrimidine compounds CBR1, CCR4, CNR1 TYK2 702/4885SYK 814/4885IRAK4 121/4885

“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.