SCHEMBL3048287

SCHEMBL3048287

COCCNCc1ccc2[nH]c(-c3cc(OC)c(OS(C)(=O)=O)c4c3C(=O)NC4)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.40
KDR P35968 10/20 0.40
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NQO2 P16083 1/20 0.34
CDK1 P06493 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SLC2A1 P11166 1/20 0.32
CHEK1 O14757 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL5043713 0.95 KDR (0.39) AURKAKDRPKMSMN1; SMN2NQO2
Hydrochloric Acid SCHEMBL3046786 0.95 KDR (0.38) AURKAKDRPKMSMN1; SMN2NQO2
SCHEMBL3047838 0.93 AURKA (0.40) AURKAKDRPKMSMN1; SMN2NQO2
Hydrochloric Acid SCHEMBL3034396 0.92 AURKA (0.40) AURKAKDRPKMSMN1; SMN2NQO2
SCHEMBL3049157 0.91 AURKA (0.41) AURKAKDRPKMSMN1; SMN2NQO2
Hydrochloric Acid SCHEMBL3039578 0.90 AURKA (0.41) AURKAKDRPKMSMN1; SMN2NQO2
Hydrochloric Acid SCHEMBL3047929 0.90 AURKA (0.38) AURKAKDRPKMSMN1; SMN2NQO2
SCHEMBL3054784 0.89 AURKA (0.42) AURKAKDRPKMSMN1; SMN2NQO2
Hydrochloric Acid SCHEMBL3046527 0.89 AURKA (0.42) AURKAKDRPKMSMN1; SMN2NQO2
Hydrochloric Acid SCHEMBL3046374 0.89 AURKA (0.37) AURKAKDRPKMSMN1; SMN2NQO2

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 5 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 claimed
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 AURKA 2312/4885KDR 3226/4885PKM 2860/4885

“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.