SCHEMBL24311518

SCHEMBL24311518

C=C1C(=O)Nc2nc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKAA1 Q13131 1/20 0.33
DYRK1A Q13627 1/20 0.33
CAMK1 Q14012 1/20 0.33
AURKB Q96GD4 1/20 0.33
SGK2 Q9HBY8 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32

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
SCHEMBL17407299 0.81 CES1 (0.48) PPOXPLK4AURKACHEK2CDK1
SCHEMBL12525012 0.74 MAPT (0.33) PPOXPLK4AURKACHEK2CDK1
SCHEMBL24311993 0.70 BRD4 (0.32) TDP2NSD2KMT2A
SCHEMBL5363595 0.68 TYMS (0.34) TDP2NSD2KMT2A
SCHEMBL6809344 0.67 ALDH1A1 (0.40) TDP2NSD2
SCHEMBL22061371 0.65 KDM4E (0.33) CDK2
SCHEMBL8212611 0.64 CES1 (0.67) PPOXCES1
SCHEMBL17803345 0.64 CHEK1 (0.42) PLK4AURKACHEK2CDK1CDK2
SCHEMBL10391247 0.64 CES1 (0.54) PPOXPLK4AURKACHEK2CDK1
SCHEMBL14991726 0.63 TDP2 (0.35) PPOXCDK5TDP2NSD2KMT2A

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-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-04-07 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-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 PPOX 2140/4885PLK4 2234/4885AURKA 1415/4885

“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.