SCHEMBL20515224

SCHEMBL20515224

COc1cc(C(N)=O)c2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.58
CYP1A2 P05177 1/20 0.55
PLK4 O00444 1/20 0.54
MAP4K4 O95819 1/20 0.54
EGFR P00533 1/20 0.54
ROS1 P08922 1/20 0.54
PIM1 P11309 1/20 0.54
AXL P30530 1/20 0.54
FLT3 P36888 1/20 0.54
FRK P42685 1/20 0.54
MAP4K2 Q12851 1/20 0.54
NTRK3 Q16288 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
AURKB Q96GD4 1/20 0.54
HIPK2 Q9H2X6 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
STK17A Q9UEE5 1/20 0.54
ALK Q9UM73 1/20 0.54
KMT2A Q03164 6/20 0.54

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
SCHEMBL29923698 1.00 PARP1 (0.58) PARP1CYP1A2PLK4MAP4K4EGFR
SCHEMBL11804278 0.87 NSD2 (0.58) CYP1A2KMT2AALDH1A1MEN1HTT
SCHEMBL29923665 0.83 KMT2A (0.52) CYP1A2KMT2AALDH1A1MEN1HTT
SCHEMBL30134451 0.83 KMT2A (0.58) CYP1A2KMT2AALDH1A1MEN1HTT
SCHEMBL27930221 0.82 PARP1 (0.54) PARP1PLK4MAP4K4EGFRROS1
SCHEMBL29923746 0.81 KMT2A (0.56) CYP1A2KMT2AALDH1A1MEN1HTT
SCHEMBL20515229 0.81 PARP1 (0.52) PARP1PLK4MAP4K4EGFRROS1
SCHEMBL29016767 0.80 CYP1A2 (0.53) CYP1A2KMT2AALDH1A1MEN1HTT
SCHEMBL20515247 0.78 PARP1 (0.65) PARP1PLK4MAP4K4EGFRROS1
Bromide SCHEMBL1143538 0.78 CYP1A2 (0.53) CYP1A2KMT2AALDH1A1MEN1HTT

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-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 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 (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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT PARP1 70/4885CYP1A2 3411/4885PLK4 2806/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 PARP1 138/4885CYP1A2 2103/4885PLK4 2943/4885

“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.