SCHEMBL21152707

SCHEMBL21152707

N=C(N)c1ccc(-c2nnc(-c3c(N)ncc4c(/N=C(\N)c5ccc(-c6ccc(-c7c(N)ncc8ccccc78)cc6)cc5)cccc34)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ATR Q13535 16/20 0.38
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
NTRK3 Q16288 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31

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
SCHEMBL17469784 0.85 ATR (0.47) ATRKITFLT3NTRK3
SCHEMBL17469791 0.78 WDR5 (0.49) F2PLGKITFLT3NTRK3
SCHEMBL18999195 0.76 ATR (0.47) ATR
SCHEMBL17469787 0.70 WDR5 (0.45) F2PLGKITFLT3NTRK3
SCHEMBL17469786 0.70 WDR5 (0.41) F2PLGKITFLT3NTRK3
SCHEMBL17469737 0.70 FLT3 (0.46) ATRFLT3
SCHEMBL17469776 0.70 NQO2 (0.56) KITFLT3NTRK3
SCHEMBL19006228 0.67 PLAU (0.40) F2ATRHDAC1HDAC6
SCHEMBL17384053 0.65 WDR5 (0.66) F2HDAC6
Hydrochloric Acid SCHEMBL17377346 0.63 WDR5 (0.63) F2HDAC6

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 1 patent. 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

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-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B F2 4544/4885PLG 4412/4885ATR 2481/4885

“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.