SCHEMBL22980261

SCHEMBL22980261

CNC(=O)c1ncccc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 3/20 0.42
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
YTHDC1 Q96MU7 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RIPK1 Q13546 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
PDE10A Q9Y233 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL8568914 0.79 PLK1 (0.46) PLK1ALDH1A1PARP1KDM4EL3MBTL1
SCHEMBL30695551 0.79 PLK1 (0.46) PLK1ALDH1A1PARP1KDM4EL3MBTL1
SCHEMBL3724024 0.79 EGLN2 (0.60) PLK1ALDH1A1PARP1KDM4EL3MBTL1
SCHEMBL4730614 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL16676649 0.78 POLB (0.45) PLK1ALDH1A1PARP1KDM4EL3MBTL1
SCHEMBL14903854 0.78 GAA (0.52) PLK1ALDH1A1PARP1KDM4EL3MBTL1
SCHEMBL1228642 0.78 GRM4 (0.54) PLK1PARP1KDM4ECYP3A4P2RX7
SCHEMBL1507135 0.78 ALDH1A1 (0.45) PLK1ALDH1A1PARP1KDM4EL3MBTL1
SCHEMBL1541109 0.78 L3MBTL1 (0.60) ALDH1A1PARP1KDM4EL3MBTL1CYP3A4
SCHEMBL28726217 0.78 PLK1 (0.45) PLK1ALDH1A1PARP1KDM4EL3MBTL1

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-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 PLK1 602/4885ALDH1A1 3677/4885PARP1 4590/4885

“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.