SCHEMBL429008

SCHEMBL429008

CCN(CC)CCOc1cc(Nc2ccc3[nH]c(C)c(C)c3c2)nc(N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
P2RY12 Q9H244 2/20 0.39
PIK3CA P42336 1/20 0.37
ESR1 P03372 1/20 0.36
KDR P35968 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
AURKA O14965 4/20 0.35
AURKB Q96GD4 2/20 0.35
GBA1 P04062 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL430146 0.89 AURKA (0.37) HSD17B10PIK3CAL3MBTL1KDM4EALDH1A1
SCHEMBL428542 0.87 AURKA (0.46) HSD17B10KDM4EALDH1A1AURKAAURKB
SCHEMBL430604 0.85 AIMP2 (0.47) HSD17B10P2RY12PIK3CAAURKAAURKB
SCHEMBL2672779 0.82 CSF1R (0.43) KDM4EALDH1A1LMNAALOX15MAPT
SCHEMBL428248 0.80 P2RX3 (0.38) HSD17B10PIK3CAKDM4EALDH1A1AURKA
SCHEMBL14412454 0.79 KDR (0.39) ESR1KDRLMNAMAPT
SCHEMBL14530470 0.77 AURKA (0.43) KDM4EALDH1A1AURKAAURKB
SCHEMBL3324305 0.77 TYK2 (0.41) HSD17B10PIK3CAAURKAAURKB
SCHEMBL426346 0.75 AURKA (0.46) PIK3CAKDRAURKAAURKB
SCHEMBL460359 0.74 AURKA (0.42) L3MBTL1KDM4EALDH1A1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP claimed
JP-2007510747-A 2007-04-26 JP claimed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US claimed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO 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-8173651-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-05-08 US disclosed
US-8173651-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-05-08 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20080167300-A1 PYRIDINE COMPOUNDS MADRIGAL PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-20080167300-A1 PYRIDINE COMPOUNDS MADRIGAL PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 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
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US 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 (6 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-20080167300-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 HSD17B10 574/4885P2RY12 21/4885PIK3CA 1364/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 HSD17B10 751/4885P2RY12 118/4885PIK3CA 2168/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 HSD17B10 3453/4885P2RY12 4009/4885PIK3CA 4463/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 HSD17B10 574/4885P2RY12 21/4885PIK3CA 1364/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 HSD17B10 1169/4885P2RY12 67/4885PIK3CA 2128/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HSD17B10 3453/4885P2RY12 4009/4885PIK3CA 4463/4885

“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.