SCHEMBL3049982

SCHEMBL3049982

Nc1ccc(-c2cccc(O)c2)c2c1C(=O)NC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
PIK3CD O00329 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CG P48736 1/20 0.44
TDP2 O95551 3/20 0.44
WEE1 P30291 2/20 0.43
CHEK1 O14757 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
MAP3K9 P80192 1/20 0.39
MAP3K11 Q16584 1/20 0.39
BRAF P15056 1/20 0.39
PDE4B Q07343 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL3046347 0.83 KDR (0.55) KDRPIK3CDPIK3CBPIK3CAWEE1
SCHEMBL3043388 0.83 KDR (0.54) KDRWEE1MAP3K9MAP3K11PDE4B
SCHEMBL24151036 0.77 KDR (0.60) KDRTDP2
SCHEMBL30190802 0.77 KDR (0.60) KDRTDP2
SCHEMBL3034618 0.76 KDR (0.49) KDRCHEK1MAPKAPK2ROCK2
SCHEMBL3835838 0.76 TDP2 (0.42) KDRPIK3CDPIK3CBPIK3CATDP2
SCHEMBL18170546 0.76 KDR (0.50) KDRMAP3K9MAP3K11BRAFPDE4B
SCHEMBL30701043 0.76 KDR (0.50) KDRMAP3K9MAP3K11BRAFPDE4B
SCHEMBL18170563 0.74 KDR (0.61) KDRMAP3K9MAP3K11ROCK2
SCHEMBL18170540 0.74 KDR (0.52) KDRTDP2MAP3K9MAP3K11CLK1

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US 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 KDR 3226/4885PIK3CD 4159/4885PIK3CB 4196/4885

“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.