SCHEMBL1374489

SCHEMBL1374489

OCCCCc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 4/20 0.50
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 2/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CA P42336 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PRKDC P78527 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL912638 0.96 CYP1A2 (0.55) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3599828 0.84 CYP1A2 (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3600627 0.82 MAPT (0.61) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL27790168 0.82 MAPT (0.57) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL1375024 0.82 KMT2A (0.51) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL2073168 0.79 KMT2A (0.51) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL13141217 0.79 MAPT (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL18398994 0.79 CYP1A2 (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3601715 0.79 MAPT (0.65) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3598467 0.79 MAPT (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1

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 21 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 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-7465725-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-12-16 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
CN-100349876-C Pyrimidine compounds SYNTA PHARMACEUTICALS CORP (US) 2007-11-21 CN disclosed
EP-1827447-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF Synta Pharmaceuticals Corporation (US) 2007-09-05 EP 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
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-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
CN-1599726-A Pyrimidine compounds SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 CN 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-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
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-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 CYP1A2 1403/4885CYP2D6 1042/4885MAPT 3558/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 CYP1A2 943/4885CYP2D6 378/4885MAPT 1747/4885
US-20060135518-A1 Pyrimidine compounds and uses thereof RORC, IL23R, ORC3 CYP1A2 562/4885CYP2D6 887/4885MAPT 4251/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 CYP1A2 943/4885CYP2D6 378/4885MAPT 1747/4885
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 CYP1A2 515/4885CYP2D6 760/4885MAPT 4267/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO CYP1A2 579/4885CYP2D6 171/4885MAPT 4042/4885
US-20040048873-A1 Pyrimidine compounds CBR1, CBR3, CCNO CYP1A2 684/4885CYP2D6 207/4885MAPT 4185/4885

“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.