SCHEMBL7258744

SCHEMBL7258744

C#Cc1c(N)ncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
GPR3 P46089 1/20 0.42
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
PDPK1 O15530 1/20 0.38
PRKCZ Q05513 1/20 0.35
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
TP53 P04637 2/20 0.33
GOT1 P17174 2/20 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
SCHEMBL7258784 0.77 FLT3 (0.45) KDM4EGPR3F12PLAUNCF1
SCHEMBL19891233 0.76 FLT3 (0.53) CYP1A2ACHEKCNH2
SCHEMBL28301397 0.74 KDM4E (0.50) KDM4EGPR3F12PLAUNCF1
SCHEMBL17459806 0.73 FLT3 (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL688993 0.71 ALDH1A1 (0.46) F12PLAUNCF1NOS3NOS1
SCHEMBL15401178 0.71 KDM4E (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL12490240 0.71 KDM4E (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL7258713 0.71 KDM4E (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL558613 0.71 KDM4E (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL19006332 0.71 FLT3 (0.43) KDM4EGPR3F12PLAUNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-10130625-B2 Linked diaryl compounds with anticancer properties and methods of using the same UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2018-11-20 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO disclosed
WO-2003024931-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 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 (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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B KDM4E 1772/4885GPR3 4678/4885F12 4636/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B KDM4E 1772/4885GPR3 4678/4885F12 4636/4885
US-10130625-B2 Linked diaryl compounds with anticancer properties and methods of using the same MCL1, DPYD, TOP2B KDM4E 1772/4885GPR3 4678/4885F12 4636/4885

“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.