SCHEMBL426310

SCHEMBL426310

C/C(=N/Nc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1)c1cccc(C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.72
SYK P43405 2/20 0.72
IRAK4 Q9NWZ3 2/20 0.72
FES P07332 1/20 0.72
FER P16591 1/20 0.72
FRK P42685 1/20 0.72
CAMK1D Q8IU85 1/20 0.72
PIKFYVE Q9Y2I7 1/20 0.72
BRSK1 Q8TDC3 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 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
SCHEMBL10196349 1.00 TYK2 (0.72) TYK2SYKIRAK4FESFER
SCHEMBL426311 1.00 TYK2 (0.72) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL426300 0.84 PIKFYVE (1.00) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL29387519 0.84 PIKFYVE (1.00) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL426299 0.84 PIKFYVE (1.00) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL29365634 0.84 PIKFYVE (1.00) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL29459498 0.84 PIKFYVE (1.00) TYK2SYKIRAK4FESFER
SCHEMBL18115402 0.82 TYK2 (0.78) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL3082380 0.81 PIKFYVE (0.91) TYK2SYKIRAK4FESFER
Apilimod SCHEMBL29387226 0.81 PIKFYVE (0.91) 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 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-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 EP 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7923557-B2 Process for preparing trisubstituted pyrimidine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-12 US disclosed
US-7851466-B2 Pyrimidine compounds and uses thereof SYNTA PHARMACEUTICALS CORP. (US) 2010-12-14 US disclosed
US-7067514-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-27 US disclosed
US-20060135518-A1 Pyrimidine compounds and uses thereof SYNTA PHARMACEUTICALS CORP. (US) 2006-06-22 US disclosed
US-20060122209-A1 Process for preparing trisubstituted pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 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
US-20040048873-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP., A DELAWARE CORPORATIO 2004-03-11 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 TYK2 73/4885SYK 98/4885IRAK4 138/4885
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-20060122209-A1 Process for preparing trisubstituted pyrimidine compounds TYMS, NUDT1, TYMP TYK2 1701/4885SYK 1920/4885IRAK4 3254/4885
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-20060135518-A1 Pyrimidine compounds and uses thereof RORC, IL23R, ORC3 TYK2 57/4885SYK 94/4885IRAK4 262/4885
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-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 TYK2 70/4885SYK 123/4885IRAK4 291/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO TYK2 1650/4885SYK 1959/4885IRAK4 2406/4885
US-20040048873-A1 Pyrimidine compounds CBR1, CBR3, CCNO TYK2 1790/4885SYK 1935/4885IRAK4 2477/4885

“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.