SCHEMBL427231

SCHEMBL427231

Cc1[nH]c2ccc(NC(=O)c3cc(OCCc4ccccn4)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GRM4 Q14833 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPK14 Q16539 4/20 0.40
SMO Q99835 1/20 0.40
TYK2 P29597 2/20 0.40
SYK P43405 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
BRSK1 Q8TDC3 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
FES P07332 1/20 0.39
FER P16591 1/20 0.39
FRK P42685 1/20 0.39
CAMK1D Q8IU85 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39

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
SCHEMBL428840 0.88 TYK2 (0.51) NPC1RAB9AGRM4PIK3CAMAPK14
SCHEMBL11926386 0.88 ALDH1A1 (0.42) RAB9APIK3CARAF1BRAFALDH1A1
SCHEMBL11926391 0.88 RAF1 (0.48) RAF1BRAFALDH1A1KDM4EL3MBTL1
SCHEMBL11926362 0.88 ALDH1A1 (0.42) RAB9ARAF1BRAFALDH1A1KDM4E
SCHEMBL5483800 0.87 PIK3CA (0.47) NPC1RAB9AGRM4PIK3CAPIK3CB
SCHEMBL426551 0.86 GRM4 (0.46) GRM4RAF1BRAFALDH1A1KDM4E
SCHEMBL430156 0.86 PIK3CA (0.44) NPC1RAB9AGRM4PIK3CAPIK3CB
SCHEMBL430095 0.86 PIK3CA (0.42) NPC1RAB9APIK3CAPIK3CBPIK3CG
SCHEMBL3110304 0.86 ALDH1A1 (0.41) NPC1RAB9ARAF1BRAFALDH1A1
SCHEMBL428720 0.85 TYK2 (0.49) NPC1RAB9APIK3CAPIK3CBPIK3CG

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 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 (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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 NPC1 1062/4885RAB9A 4184/4885GRM4 4673/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 NPC1 2090/4885RAB9A 830/4885GRM4 2087/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 NPC1 3577/4885RAB9A 2224/4885GRM4 4294/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 NPC1 2090/4885RAB9A 830/4885GRM4 2087/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG NPC1 2094/4885RAB9A 3355/4885GRM4 1556/4885

“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.