SCHEMBL424282

SCHEMBL424282

COc1cccc(-c2ccc3nc(OCCc4ccc(OC)c(OC)c4)nc(N4CCOCC4)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.58
CYP3A4 P08684 7/20 0.58
CLK4 Q9HAZ1 7/20 0.58
USP2 O75604 6/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP2C19 P33261 5/20 0.58
CYP2D6 P10635 5/20 0.58
HIF1A Q16665 4/20 0.58
MAPK1 P28482 4/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 3/20 0.58
HPGD P15428 1/20 0.48
GAK O14976 3/20 0.46
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
PIK3CA P42336 2/20 0.43
NTSR1 P30989 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL425631 0.93 ALDH1A1 (0.51) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL425978 0.92 ALDH1A1 (0.50) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL429389 0.92 ALDH1A1 (0.48) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL427066 0.89 ALDH1A1 (0.50) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL426562 0.89 ALDH1A1 (0.50) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL428136 0.89 ALDH1A1 (0.46) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL430888 0.89 ALDH1A1 (0.46) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL429174 0.88 ALDH1A1 (0.49) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL425970 0.88 ALDH1A1 (0.49) CYP1A2CYP3A4CLK4USP2ALDH1A1
SCHEMBL426608 0.88 ALDH1A1 (0.49) CYP1A2CYP3A4CLK4USP2ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US claimed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US claimed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (5 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 CYP1A2 219/4885CYP3A4 190/4885CLK4 2382/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 CYP1A2 68/4885CYP3A4 75/4885CLK4 2558/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 CYP1A2 443/4885CYP3A4 2294/4885CLK4 3411/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CYP1A2 4750/4885CYP3A4 4855/4885CLK4 3811/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CYP1A2 4750/4885CYP3A4 4855/4885CLK4 3811/4885

“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.