SCHEMBL1377779

SCHEMBL1377779

COc1ccc(CCCc2nc(Cl)cc(N3CCOCC3)n2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALOX15 P16050 2/20 0.52
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 2/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4B Q07343 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1374503 0.85 MEN1 (0.52) KMT2AMEN1ALOX15MAPTHTT
SCHEMBL3322289 0.83 MEN1 (0.60) KMT2AMEN1ALOX15MAPTCYP1A2
SCHEMBL1373842 0.83 MEN1 (0.52) KMT2AMEN1ALOX15MAPTCYP1A2
SCHEMBL4406713 0.80 KMT2A (0.51) KMT2AMEN1ALOX15MAPTHTT
SCHEMBL1375024 0.79 KMT2A (0.51) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL3326516 0.76 MEN1 (0.65) KMT2AMEN1ALOX15MAPTCYP1A2
SCHEMBL4400048 0.76 MEN1 (0.51) KMT2AMEN1ALOX15MAPTHTT
SCHEMBL912638 0.75 CYP1A2 (0.55) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL1374489 0.74 CYP1A2 (0.54) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL13060564 0.74 MEN1 (0.40) KMT2AMEN1ALOX15MAPTALDH1A1

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 19 patents. 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
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
WO-2006060194-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 WO 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
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 KMT2A 3925/4885MEN1 4523/4885ALOX15 1039/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 KMT2A 2431/4885MEN1 149/4885ALOX15 3088/4885
US-20060135518-A1 Pyrimidine compounds and uses thereof RORC, IL23R, ORC3 KMT2A 4060/4885MEN1 4832/4885ALOX15 1042/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 KMT2A 2431/4885MEN1 149/4885ALOX15 3088/4885
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 KMT2A 4103/4885MEN1 4837/4885ALOX15 892/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO KMT2A 2347/4885MEN1 4719/4885ALOX15 2942/4885
US-20040048873-A1 Pyrimidine compounds CBR1, CBR3, CCNO KMT2A 2687/4885MEN1 4656/4885ALOX15 3159/4885

“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.