SCHEMBL17469740

SCHEMBL17469740

CN(C)CCNC(=O)CN(/N=N/c1ccc(C(=N)N)cc1)c1ccccc1C#Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
ST14 Q9Y5Y6 1/20 0.32
ACKR3 P25106 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
CACNA1H O95180 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL17469742 0.79 NQO2 (0.36)
SCHEMBL17469741 0.74 MAPK14 (0.33) ALDH1A1F7
SCHEMBL17469846 0.74 PKM (0.38) ALDH1A1PKM
SCHEMBL17469730 0.67 TMPRSS2 (0.48) MEN1RAB9AKMT2ACYP1A2ST14
SCHEMBL17469728 0.64 TMPRSS2 (0.40) PRSS1MEN1RAB9AKMT2ACYP1A2
SCHEMBL17469631 0.61 ALDH1A1 (0.46) RAB9AKMT2AALDH1A1
SCHEMBL3643020 0.61 ALDH1A1 (0.59) CYP1A2DRD2DRD4DRD3ALDH1A1
SCHEMBL17469657 0.60 TMPRSS2 (0.56) PRSS1MEN1RAB9AKMT2AST14
SCHEMBL21531026 0.59 ALDH1A1 (0.63) RAB9AKMT2AACKR3ALDH1A1PKM
SCHEMBL30074587 0.59 ALDH1A1 (0.63) RAB9AKMT2AACKR3ALDH1A1PKM

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 PRSS1 3985/4885TMPRSS15 2311/4885MEN1 1462/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B PRSS1 3985/4885TMPRSS15 2311/4885MEN1 1462/4885

“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.