SCHEMBL20710199

SCHEMBL20710199

COC(=O)c1ccc2c(c1)NC(=O)/C2=C\Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
AURKA O14965 1/20 0.46
RAF1 P04049 1/20 0.46
RET P07949 1/20 0.44
ALOX5 P09917 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FLT3 P36888 3/20 0.43
KIT P10721 2/20 0.43
FLT4 P35916 2/20 0.43
PDGFRB P09619 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
TGM2 P21980 3/20 0.42

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
SCHEMBL480660 0.92 PIM1 (0.47) PDPK1AURKARAF1RETFLT3
SCHEMBL480661 0.92 PIM1 (0.47) PDPK1AURKARAF1RETFLT3
SCHEMBL20807320 0.89 KMT2A (0.46) PDPK1AURKARAF1TP53POLB
SCHEMBL21933663 0.88 PDPK1 (0.45) PDPK1AURKARAF1ALOX5TP53
SCHEMBL2121227 0.85 KMT2A (0.43) PDPK1AURKARAF1TP53POLB
SCHEMBL11887609 0.85 MAPT (0.53) PDPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL2121225 0.84 PSEN1 (0.42) PDPK1AURKARAF1FLT3KIT
SCHEMBL2569923 0.84 PSEN1 (0.42) PDPK1AURKARAF1FLT3KIT
SCHEMBL28074783 0.83 AURKA (0.58) PDPK1AURKARAF1RETFLT3
SCHEMBL3154576 0.81 ALDH1A1 (0.49) AURKARETTP53THRBFLT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES BOEHRINGER INGELHEIM INT (DE) 2019-02-07 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 (3 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-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 PDPK1 3352/4885AURKA 4596/4885RAF1 4207/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 PDPK1 3483/4885AURKA 4612/4885RAF1 4366/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 PDPK1 2128/4885AURKA 4805/4885RAF1 3159/4885

“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.