SCHEMBL23876563

SCHEMBL23876563

CCC(=O)Nc1c(Nc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc(C)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.51
NAMPT P43490 1/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NQO2 P16083 1/20 0.39
TSHR P16473 1/20 0.38
METTL3 Q86U44 1/20 0.37
POLB P06746 1/20 0.37
PTPRB P23467 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTGER4 P35408 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL23876873 0.93 IGF1R (0.49) IGF1RNAMPTCA1CA2ALDH1A1
SCHEMBL23876526 0.91 IGF1R (0.51) IGF1RNAMPTCA1CA2ALDH1A1
SCHEMBL23876879 0.88 MAPT (0.41) MAPTPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL23876536 0.85 IGF1R (0.54) IGF1RNAMPTCA1CA2MAPT
SCHEMBL30810306 0.82 IGF1R (0.51) IGF1RNAMPTCA1CA2ALDH1A1
SCHEMBL25004233 0.82 IGF1R (0.51) IGF1RNAMPTCA1CA2ALDH1A1
SCHEMBL19889032 0.80 NAMPT (0.61) NAMPTCA1CA2MAPTPOLB
SCHEMBL1626418 0.79 IGF1R (0.51) IGF1RNAMPTCA1CA2MAPT
SCHEMBL1626696 0.76 IGF1R (0.47) IGF1RNAMPTCA1CA2ALDH1A1
SCHEMBL13892876 0.72 NAMPT (0.56) IGF1RNAMPTCA1CA2MAPT

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
WO-2023012820-A1 A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) 2023-02-09 WO disclosed
US-20210300921-A1 EP4 INHIBITORS AND SYNTHESIS THEREOF ASKAT INC. (JP) 2021-09-30 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-20210300921-A1 EP4 INHIBITORS AND SYNTHESIS THEREOF PTGER4, EPB41, CDK4 IGF1R 4247/4885NAMPT 1024/4885CA1 4473/4885

“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.