SCHEMBL3044760

SCHEMBL3044760

COc1cc(I)c2c(c1OC)CNC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.50
KDR P35968 4/20 0.35
PLK4 O00444 3/20 0.35
AURKA O14965 3/20 0.35
FLT4 P35916 3/20 0.35
FLT3 P36888 3/20 0.35
AURKB Q96GD4 3/20 0.35
SRC P12931 2/20 0.35
TEK Q02763 2/20 0.35
NUAK1 O60285 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
INSR P06213 2/20 0.35
PDGFRB P09619 2/20 0.35
PTK2 Q05397 2/20 0.35
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
MAP3K8 P41279 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL3034119 0.86 NQO2 (0.42) NQO2KDRBRD4GSK3BPDE3B
SCHEMBL3041522 0.83 IGF1R (0.41) NQO2KDRIGF1RKDM4EMEN1
SCHEMBL3047855 0.83 NQO2 (0.40) NQO2KDRKDM4EMEN1MAPT
SCHEMBL3038567 0.78 KDM4E (0.43) NQO2KDRKDM4EACHEMEN1
SCHEMBL3046462 0.77 HTR6 (0.37) NQO2MEN1MAPTKMT2AALDH1A1
SCHEMBL3050187 0.75 PKM (0.43) NQO2KDRPLK4AURKAFLT4
SCHEMBL3978455 0.75 NQO2 (0.47) NQO2KDRPLK4AURKAFLT4
SCHEMBL1335159 0.71 KDM4E (0.57) NQO2KDRKDM4EACHEMEN1
SCHEMBL3839671 0.71 MAP3K9 (0.32) NQO2KDM4EALDH1A1HPGDTSHR
SCHEMBL3839674 0.69 PDE4B (0.33) NQO2KDRKDM4EMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NQO2 308/4885KDR 3226/4885PLK4 1192/4885

“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.