SCHEMBL4312124

SCHEMBL4312124

COc1ccccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.51
PTGS1 P23219 3/20 0.51
NFE2L2 Q16236 4/20 0.49
TRPA1 O75762 1/20 0.49
LCK P06239 2/20 0.47
ABL1 P00519 1/20 0.47
LYN P07948 1/20 0.47
SRC P12931 1/20 0.47
CSK P41240 1/20 0.47
BTK Q06187 1/20 0.47
PTK6 Q13882 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
CYP1A1 P04798 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP1B1 Q16678 3/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4312133 1.00 PTGS2 (0.51) PTGS2PTGS1NFE2L2TRPA1LCK
SCHEMBL4313953 0.88 CHEK1 (0.42) PTGS2PTGS1NFE2L2TRPA1LCK
SCHEMBL4313956 0.88 CHEK1 (0.42) PTGS2PTGS1NFE2L2TRPA1LCK
SCHEMBL4320629 0.82 CHEK1 (0.42) LCKCTNNB1WNT3AKDM4ENPC1
SCHEMBL4320620 0.82 CHEK1 (0.42) LCKCTNNB1WNT3AKDM4ENPC1
SCHEMBL4327277 0.81 CHEK1 (0.55) LCKABL1LYNSRCCSK
SCHEMBL4327285 0.81 CHEK1 (0.55) LCKABL1LYNSRCCSK
SCHEMBL4449696 0.80 RAB9A (0.45) LCKABL1LYNSRCCSK
SCHEMBL4449691 0.80 RAB9A (0.45) LCKABL1LYNSRCCSK
SCHEMBL4314378 0.80 MEN1 (0.50) CTNNB1WNT3AKDM4ENPC1ALDH1A1

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 PTGS2 4420/4885PTGS1 3592/4885NFE2L2 2518/4885

“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.