SCHEMBL425279

SCHEMBL425279

COc1ccc(CCCc2nc(N/N=C\c3c[nH]c4ccccc34)cc(N3CCOCC3)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 3/20 0.45
PIKFYVE Q9Y2I7 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
POLB P06746 2/20 0.40
ALOX15 P16050 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
SCHEMBL425280 1.00 MAPT (0.46) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10195923 1.00 MAPT (0.46) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL13801470 0.93 MAPT (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL425002 0.88 PIKFYVE (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL425001 0.88 PIKFYVE (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10197075 0.88 PIKFYVE (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL13758967 0.88 MAPT (0.47) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10196334 0.87 MAPT (0.51) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL428707 0.87 MAPT (0.51) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL428706 0.87 MAPT (0.51) MAPTGAAALDH1A1MEN1KMT2A

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-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-20060135518-A1 Pyrimidine compounds and uses thereof SYNTA PHARMACEUTICALS CORP. (US) 2006-06-22 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 (8 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 MAPT 3558/4885GAA 4830/4885ALDH1A1 4165/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAPT 238/4885GAA 2575/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885GAA 3596/4885ALDH1A1 3468/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 MAPT 1747/4885GAA 1723/4885ALDH1A1 2911/4885
US-20060135518-A1 Pyrimidine compounds and uses thereof RORC, IL23R, ORC3 MAPT 4251/4885GAA 4811/4885ALDH1A1 1838/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 MAPT 1747/4885GAA 1723/4885ALDH1A1 2911/4885
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 MAPT 4267/4885GAA 4823/4885ALDH1A1 1856/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO MAPT 4042/4885GAA 4567/4885ALDH1A1 2391/4885

“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.