SCHEMBL17469785

SCHEMBL17469785

N/C(=N/O)c1ccc(Cn2cc(-c3c(N)ncc4ccccc34)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
FLT3 P36888 1/20 0.38
CYP19A1 P11511 2/20 0.38
TEK Q02763 5/20 0.37
KDR P35968 5/20 0.37
SPHK2 Q9NRA0 2/20 0.37
CDC7 O00311 1/20 0.37
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37

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
SCHEMBL17469768 0.88 MEN1 (0.42) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL17459812 0.82 CYP19A1 (0.58) CYP19A1CDC7
SCHEMBL17469737 0.75 FLT3 (0.46) FLT3CHEK2MAPK1AKT1RAB9A
SCHEMBL17469771 0.70 MIF (0.45) FLT3PTGS2
SCHEMBL17469733 0.67 KDM1A (0.48) FLT3
SCHEMBL17469804 0.67 KDM1A (0.48) FLT3
SCHEMBL18999191 0.67 MIF (0.44) FLT3PTGS2
SCHEMBL17469805 0.65 FLT3 (0.71) FLT3NPC1RAB9A
SCHEMBL19746322 0.64 CYP19A1 (0.51) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL19746320 0.64 CYP19A1 (0.51) MEN1KMT2ACASP3SENP8SENP7

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 4 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-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

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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B MEN1 1462/4885KMT2A 1271/4885CASP3 208/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B MEN1 1462/4885KMT2A 1271/4885CASP3 208/4885

“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.