SCHEMBL17469784

SCHEMBL17469784

N=C(N)c1ccc(-c2nnc(-c3c(N)ncc4ccccc34)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.47
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NQO2 P16083 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
WDR5 P61964 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
NTRK3 Q16288 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18999195 0.89 ATR (0.47) ATRNPC1RAB9A
SCHEMBL21152707 0.85 F2 (0.41) ATRKITFLT3NTRK3
SCHEMBL17469791 0.83 WDR5 (0.49) NQO2WDR5KITFLT3NTRK3
SCHEMBL17469776 0.82 NQO2 (0.56) NQO2WDR5KITFLT3NTRK3
SCHEMBL17469787 0.80 WDR5 (0.45) NPC1RAB9ANQO2MEN1KMT2A
SCHEMBL17469786 0.80 WDR5 (0.41) NPC1RAB9ANQO2MEN1KMT2A
SCHEMBL19006228 0.77 PLAU (0.40) ATRALDH1A1
SCHEMBL17384053 0.76 WDR5 (0.66) NPC1RAB9ANQO2MEN1KMT2A
Hydrochloric Acid SCHEMBL17377346 0.74 WDR5 (0.63) NPC1RAB9ANQO2MEN1KMT2A
SCHEMBL17469771 0.74 MIF (0.45) ATRKITFLT3NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ATR 2481/4885NPC1 1776/4885RAB9A 1465/4885

“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.