SCHEMBL23746381

SCHEMBL23746381

O=C(Nc1nc(NC(=O)c2ccc3ccccc3c2)n(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.81
CDKN1A P38936 1/20 0.73
TDP1 Q9NUW8 5/20 0.65
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HTT P42858 3/20 0.65
KDM4E B2RXH2 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HIF1A Q16665 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GRM5 P41594 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL17799237 0.90 MAPK1 (1.00) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL21990726 0.87 MAPK1 (0.89) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL20110178 0.85 MAPK1 (0.85) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL20110265 0.85 MAPK1 (0.85) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL20110174 0.84 MAPK1 (0.79) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL22060123 0.84 MAPK1 (0.82) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL20110190 0.84 MAPK1 (0.82) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL22060144 0.83 MAPK1 (0.81) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL22060317 0.83 CDKN1A (0.98) MAPK1CDKN1ATDP1LMNASMN1; SMN2
SCHEMBL20115763 0.83 MAPK1 (0.76) MAPK1CDKN1ATDP1LMNASMN1; SMN2

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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 MAPK1 723/4885CDKN1A 7/4885TDP1 854/4885

“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.