SCHEMBL3322652

SCHEMBL3322652

Nc1nccc(-c2cc(Br)cs2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSP90AA1 P07900 3/20 0.49
CDK5 Q00535 8/20 0.44
CDK5R1 Q15078 8/20 0.44
GSK3B P49841 6/20 0.44
PRKACA P17612 5/20 0.44
CCNB2 O95067 4/20 0.44
CDK1 P06493 4/20 0.44
CCNB1 P14635 4/20 0.44
PRKACG P22612 4/20 0.44
PRKACB P22694 4/20 0.44
CCNB3 Q8WWL7 4/20 0.44
CLK1 P49759 4/20 0.44
CSNK1A1 P48729 3/20 0.44
CSNK1D P48730 3/20 0.44
CSNK1E P49674 3/20 0.44
CSNK1G2 P78368 3/20 0.44
CSNK1G1 Q9HCP0 3/20 0.44
PDPK1 O15530 2/20 0.44

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
SCHEMBL25183185 0.82 KDM4E (0.35) KDM4EALDH1A1ADORA2A
SCHEMBL30956778 0.82 KDM4E (0.35) KDM4EALDH1A1ADORA2A
SCHEMBL13992624 0.79 KDM4E (0.41) KDM4EALDH1A1CDK2DYRK1A
SCHEMBL3331256 0.79 MAPK13 (0.35) KDM4EALDH1A1ADORA2A
SCHEMBL5000417 0.76 CDC7 (0.51) KDM4EALDH1A1HSP90AA1GSK3BCCNB2
SCHEMBL3061377 0.75 KDM4E (0.54) KDM4EALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL4780028 0.73 PRKACA (0.58) KDM4EALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL3358493 0.72 KDM4E (0.44) KDM4EALDH1A1HSP90AA1PRKACAPDPK1
SCHEMBL18724191 0.72 MAPT (0.53) KDM4EALDH1A1CYP1A2
SCHEMBL623986 0.71 ALDH1A1 (1.00) KDM4EALDH1A1HSP90AA1PRKACAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
EP-1877388-A2 HYDRAZINOMETHYL, HYDRAZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS Kudos Pharmaceuticals Ltd (GB) 2008-01-16 EP disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 WO 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 (2 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-20060199804-A1 Compounds CA4, CA6, CYP2B6 KDM4E 2128/4885ALDH1A1 1821/4885HSP90AA1 3388/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 KDM4E 2214/4885ALDH1A1 1677/4885HSP90AA1 3138/4885

“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.