SCHEMBL427609

SCHEMBL427609

Cc1ccc(C(=O)NNOC(=O)c2cc(N3CCOCC3)nc(OCCN3CCOCC3)n2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
BRAF P15056 12/20 0.43
RAF1 P04049 11/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDGFRB P09619 1/20 0.40
ARAF P10398 1/20 0.40
DDR1 Q08345 1/20 0.40
DDR2 Q16832 1/20 0.40
MAPK14 Q16539 1/20 0.39
PIK3CG P48736 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL427608 0.81 RAF1 (0.43) POLBBRAFRAF1NPC1PDGFRB
SCHEMBL3121609 0.80 PIK3CA (0.44) MEN1GAAKMT2APIK3CAALDH1A1
SCHEMBL5490793 0.75 KMO (0.53) POLBMEN1GAAKMT2APIK3CA
SCHEMBL430786 0.73 TSHR (0.48) BRAFRAF1PIK3CGMEN1KMT2A
SCHEMBL3117380 0.73 LMNA (0.47) POLBBRAFRAF1NPC1MAPK14
SCHEMBL11929838 0.70 KMT2A (0.55) POLBNPC1KMT2ASMN1; SMN2
SCHEMBL302391 0.70 TYK2 (0.38) POLBBRAFRAF1NPC1RAB9A
SCHEMBL424433 0.70 TYK2 (0.38) POLBBRAFRAF1NPC1RAB9A
SCHEMBL19321935 0.69 L3MBTL1 (0.70) POLBMEN1GAAKMT2AALDH1A1
SCHEMBL11926408 0.68 KDM4E (0.45) NPC1MEN1GAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
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-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-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-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-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG POLB 3816/4885BRAF 2713/4885RAF1 2782/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 POLB 2582/4885BRAF 1453/4885RAF1 2190/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 POLB 3380/4885BRAF 892/4885RAF1 736/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 POLB 2803/4885BRAF 1217/4885RAF1 2804/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 POLB 3380/4885BRAF 892/4885RAF1 736/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG POLB 3816/4885BRAF 2713/4885RAF1 2782/4885

“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.