SCHEMBL4322650

SCHEMBL4322650

Nc1cc(Cl)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
PDPK1 O15530 2/20 0.42
CYP3A4 P08684 1/20 0.42
CHEK1 O14757 7/20 0.41
CDK4 P11802 3/20 0.41
CCNA2 P20248 2/20 0.41
CCND1 P24385 2/20 0.41
CDK2 P24941 2/20 0.41
CCND3 P30281 2/20 0.41
FADS1 O60427 1/20 0.40
TRPA1 O75762 1/20 0.40
CDK1 P06493 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL4322654 1.00 KDM4E (0.42) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4319805 0.83 PDPK1 (0.50) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4319809 0.83 PDPK1 (0.50) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4311295 0.81 PDPK1 (0.40) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4311293 0.81 PDPK1 (0.40) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4316962 0.81 KDR (0.47) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4316960 0.81 KDR (0.47) KDM4EGAAPDPK1CYP3A4CHEK1
SCHEMBL4314034 0.80 KDR (0.49) PDPK1CHEK1CDK4JAK2KDR
SCHEMBL4309455 0.80 KDR (0.49) PDPK1CHEK1CDK4JAK2KDR
SCHEMBL4322598 0.79 MAPT (0.47) PDPK1CHEK1CDK4CCNA2CCND1

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 KDM4E 1251/4885GAA 3516/4885PDPK1 1391/4885

“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.