SCHEMBL426894

SCHEMBL426894

COC(=O)c1nc(Nc2ccc3[nH]c(C)c(C)c3c2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.42
FLT3 P36888 2/20 0.42
AURKA O14965 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
SYK P43405 1/20 0.40
JAK1 P23458 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
IGF1R P08069 1/20 0.39
LCK P06239 2/20 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
SCHEMBL13759263 0.89 KIT (0.43) KITFLT3AURKACCNA2CDK2
SCHEMBL425313 0.86 KIT (0.45) KITFLT3AURKACCNA2CDK2
SCHEMBL425180 0.85 AURKA (0.42) FLT3AURKACCNA2CDK2TTK
SCHEMBL12706393 0.85 AURKA (0.43) AURKACASP7CASP6SYKALDH1A1
SCHEMBL14529997 0.82 IGF1R (0.44) KITFLT3AURKACCNA2CDK2
SCHEMBL431091 0.81 KIT (0.45) KITFLT3AURKACCNA2CDK2
SCHEMBL431355 0.80 SYK (0.46) AURKACCNA2CDK2TTKAURKB
SCHEMBL3116358 0.79 FLT3 (0.43) KITFLT3AURKAJAK1ALDH1A1
SCHEMBL427074 0.79 AURKA (0.41) AURKACCNA2CDK2TTKAURKB
SCHEMBL430725 0.79 AURKA (0.43) KITFLT3AURKACCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US claimed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 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-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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 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-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 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 (4 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 KIT 3684/4885FLT3 1455/4885AURKA 4145/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KIT 1071/4885FLT3 2836/4885AURKA 4825/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 KIT 376/4885FLT3 332/4885AURKA 3229/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 KIT 1071/4885FLT3 2836/4885AURKA 4825/4885

“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.