SCHEMBL4320787

SCHEMBL4320787

COc1c(OCC(=O)N2CCN(C)CC2)ccc(/C=C/c2n[nH]c3ccccc23)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
AURKA O14965 2/20 0.39

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
SCHEMBL4320803 1.00 TP53 (0.45) TP53MAPK1CASP1CASP7KEAP1
SCHEMBL4320503 0.91 ALDH1A1 (0.45) TP53MAPK1KEAP1NFE2L2HSD17B10
SCHEMBL4320490 0.91 ALDH1A1 (0.45) TP53MAPK1KEAP1NFE2L2HSD17B10
SCHEMBL4314012 0.87 TP53 (0.42) TP53MAPK1CASP1CASP7KEAP1
SCHEMBL4314023 0.87 TP53 (0.42) TP53MAPK1CASP1CASP7KEAP1
SCHEMBL4316532 0.87 KDM4E (0.43) TP53HSD17B10SMN1; SMN2KDM4EHPGD
SCHEMBL4316548 0.87 KDM4E (0.43) TP53HSD17B10SMN1; SMN2KDM4EHPGD
SCHEMBL4316556 0.87 KDM4E (0.43) TP53HSD17B10SMN1; SMN2KDM4EHPGD
SCHEMBL4314995 0.81 AURKA (0.54) TP53MAPK1CASP1CASP7KEAP1
SCHEMBL4315004 0.81 AURKA (0.54) TP53MAPK1CASP1CASP7KEAP1

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 TP53 3470/4885MAPK1 295/4885CASP1 3168/4885

“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.