SCHEMBL428888

SCHEMBL428888

C(=N\Nc1cc(N2CCOCC2)nc(CCCc2ccccn2)n1)\c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 2/20 0.51
TYK2 P29597 2/20 0.51
SYK P43405 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.51
FES P07332 1/20 0.51
FER P16591 1/20 0.51
FRK P42685 1/20 0.51
CAMK1D Q8IU85 1/20 0.51
MAPT P10636 9/20 0.49
GAA P10253 5/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL428889 1.00 PIKFYVE (0.51) PIKFYVETYK2SYKIRAK4FES
SCHEMBL10196651 1.00 PIKFYVE (0.51) PIKFYVETYK2SYKIRAK4FES
SCHEMBL428497 0.88 TYK2 (0.68) PIKFYVETYK2SYKIRAK4FES
SCHEMBL10198709 0.88 TYK2 (0.68) PIKFYVETYK2SYKIRAK4FES
SCHEMBL428496 0.88 TYK2 (0.68) PIKFYVETYK2SYKIRAK4FES
SCHEMBL428753 0.87 MAPT (0.53) PIKFYVEMAPTGAAATMTDP1
SCHEMBL13758963 0.87 MAPT (0.53) PIKFYVESYKIRAK4MAPTGAA
SCHEMBL10196654 0.87 MAPT (0.53) PIKFYVEMAPTGAAATMTDP1
SCHEMBL428754 0.87 MAPT (0.53) PIKFYVEMAPTGAAATMTDP1
SCHEMBL10196334 0.86 MAPT (0.51) PIKFYVETYK2SYKIRAK4FES

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 25 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-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-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORPORATION (US) 2011-11-24 US disclosed
US-7851466-B2 Pyrimidine compounds and uses thereof SYNTA PHARMACEUTICALS CORP. (US) 2010-12-14 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-20060025409-A1 e.g. N-{2-[3-(3,4-dimethoxy-phenyl)-propyl]-6-morpholin-4-yl-pyrimidin-4-yl}-N'-(1H-indol-3-ylmethylene)-hydrazine; interleukin-12 antagonist; antiinflammatory, antidiabetic agent; rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis, or insulin-dependent diabetes mellitus SYNTA PHARMACEUTICALS CORP. (US) 2006-02-02 US disclosed
EP-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 EP disclosed
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP disclosed
US-6693097-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. 2004-02-17 US disclosed
US-20030139403-A1 Pyrimidine compounds SHIONOGI BIORESEARCH CORP. 2003-07-24 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-20060025409-A1 e.g. N-{2-[3-(3,4-dimethoxy-phenyl)-propyl]-6-morpholin-4-yl-pyrimidin-4-yl}-N'-(1H-indol-3-ylmethylene)-hydrazine; interleukin-12 antagonist; antiinflammatory, antidiabetic agent; rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis, or insulin-dependent diabetes mellitus RORC, NR2C2, OSTC PIKFYVE 4448/4885TYK2 73/4885SYK 98/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 PIKFYVE 4150/4885TYK2 2464/4885SYK 737/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 PIKFYVE 3825/4885TYK2 2409/4885SYK 3624/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 PIKFYVE 3825/4885TYK2 2409/4885SYK 3624/4885
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 PIKFYVE 4533/4885TYK2 70/4885SYK 123/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO PIKFYVE 4278/4885TYK2 1650/4885SYK 1959/4885

“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.