SCHEMBL2545189

SCHEMBL2545189

Cc1cnc2[nH]cc(C(c3cnc(Nc4ccc(S(C)(=O)=O)cc4)nc3)S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
CDK2 P24941 6/20 0.35
CCNA2 P20248 3/20 0.35
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CDK1 P06493 3/20 0.34
KDR P35968 2/20 0.34
PIP4K2A P48426 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
SYK P43405 1/20 0.34
PLK1 P53350 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CCND3 P30281 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL14715718 0.89 KDM1A (0.32) PLK1GSK3BAAK1
SCHEMBL2544624 0.74 CYP3A4 (0.53) CDK2JAK1JAK3
SCHEMBL4512512 0.70 CYP2C9 (0.42) CDK2JAK3CDK1KDRMAPK9
SCHEMBL2540264 0.69 JAK2 (0.37) CDK2JAK3MAPK8MAPK9CSNK1A1
SCHEMBL1266809 0.67 JAK2 (0.43) GSK3B
SCHEMBL12140781 0.67 CYP3A4 (0.37) CAMKK2AAK1
SCHEMBL12140715 0.66 AXL (0.39) CDK2JAK3CDK1KDRCAMKK2
SCHEMBL12140733 0.66 AXL (0.39) CDK2JAK3CDK1KDRCAMKK2
SCHEMBL12140726 0.66 AXL (0.39) CDK2JAK3CDK1KDRCAMKK2
Ammonia Solution, Strong SCHEMBL21294173 0.66 MET (0.50) CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2015-07-02 US disclosed
US-8901118-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-02 US disclosed
EP-2560972-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-02-27 EP disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 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 (3 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-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC PTGS2 2866/4885CDK2 1041/4885CCNA2 4210/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 PTGS2 2424/4885CDK2 974/4885CCNA2 4020/4885
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 PTGS2 2623/4885CDK2 1038/4885CCNA2 4239/4885

“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.