SCHEMBL4317425

SCHEMBL4317425

Cc1ccsc1C(=O)Nc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C=Cc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
PARP1 P09874 3/20 0.40
HDAC4 P56524 1/20 0.39
CCR8 P51685 1/20 0.39
RIPK2 O43353 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
TOP2A P11388 1/20 0.37
CNR1 P21554 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP30 Q70CQ3 3/20 0.37
BTK Q06187 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4317421 1.00 AURKA (0.52) AURKAAURKBPARP1HDAC4CCR8
SCHEMBL4307856 0.91 AURKA (0.55) AURKAAURKBCCR8RIPK2HTR1A
SCHEMBL4307860 0.91 AURKA (0.55) AURKAAURKBCCR8RIPK2HTR1A
SCHEMBL4322572 0.90 AURKA (0.56) AURKAAURKBRIPK2MAPTBTK
SCHEMBL4315474 0.89 AURKA (0.55) AURKAAURKBHTR1ADRD2HTR2A
SCHEMBL4315465 0.89 AURKA (0.55) AURKAAURKBHTR1ADRD2HTR2A
SCHEMBL4308986 0.86 AURKA (0.55) AURKAAURKBCCR8RIPK2HTR1A
SCHEMBL4308993 0.86 AURKA (0.55) AURKAAURKBCCR8RIPK2HTR1A
SCHEMBL4316361 0.86 AURKA (0.56) AURKAAURKBMAPT
SCHEMBL4316358 0.86 AURKA (0.56) AURKAAURKBMAPT

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-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 AURKA 3687/4885AURKB 3438/4885PARP1 3697/4885

“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.