SCHEMBL426317

SCHEMBL426317

CCCCOc1nc(NN=Cc2c[nH]c3ccccc23)cc(N2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 10/20 0.52
GAA P10253 6/20 0.52
ALDH1A1 P00352 2/20 0.52
PIKFYVE Q9Y2I7 2/20 0.52
FES P07332 1/20 0.52
FER P16591 1/20 0.52
TYK2 P29597 1/20 0.52
FRK P42685 1/20 0.52
SYK P43405 1/20 0.52
CAMK1D Q8IU85 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 6/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
THRB P10828 2/20 0.50

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
SCHEMBL426316 1.00 L3MBTL1 (0.56) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL10198704 1.00 L3MBTL1 (0.56) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL13004729 0.92 MAPT (0.51) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL1721328 0.91 MAPT (0.50) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL1721324 0.91 MAPT (0.50) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL1618007 0.88 PIKFYVE (0.51) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL1617306 0.88 PIKFYVE (0.54) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL1617304 0.88 PIKFYVE (0.54) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL428496 0.87 TYK2 (0.68) L3MBTL1MAPTGAAALDH1A1PIKFYVE
SCHEMBL428497 0.87 TYK2 (0.68) L3MBTL1MAPTGAAALDH1A1PIKFYVE

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 34 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-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
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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 L3MBTL1 4848/4885MAPT 238/4885GAA 2575/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 L3MBTL1 1129/4885MAPT 4316/4885GAA 3596/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 L3MBTL1 3725/4885MAPT 1747/4885GAA 1723/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 L3MBTL1 3725/4885MAPT 1747/4885GAA 1723/4885
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 L3MBTL1 3717/4885MAPT 4267/4885GAA 4823/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO L3MBTL1 3489/4885MAPT 4042/4885GAA 4567/4885
US-20040048873-A1 Pyrimidine compounds CBR1, CBR3, CCNO L3MBTL1 3504/4885MAPT 4185/4885GAA 4621/4885

“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.