SCHEMBL3046347

SCHEMBL3046347

Nc1ccc(-c2ccc(O)cc2)c2c1C(=O)NC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.55
WEE1 P30291 2/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
ROCK2 O75116 1/20 0.38
MAP3K9 P80192 1/20 0.36
MAP3K11 Q16584 1/20 0.36
CSF1R P07333 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM2 Q14416 1/20 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
SCHEMBL18170563 0.85 KDR (0.61) KDRROCK2MAP3K9MAP3K11CSF1R
SCHEMBL18170475 0.85 KDR (0.52) KDRPIK3CDPIK3CAPIK3CBMAP3K9
SCHEMBL18170540 0.85 KDR (0.52) KDRMAP3K9MAP3K11CSF1RCLK1
SCHEMBL3043388 0.84 KDR (0.54) KDRWEE1MAP3K9MAP3K11CSF1R
SCHEMBL18170546 0.83 KDR (0.50) KDRMAP3K9MAP3K11CSF1RCLK1
SCHEMBL30701043 0.83 KDR (0.50) KDRMAP3K9MAP3K11CSF1RCLK1
SCHEMBL18170855 0.83 KDR (0.56) KDRWEE1ROCK2CSF1R
SCHEMBL3049982 0.83 KDR (0.54) KDRWEE1PIK3CDPIK3CAPIK3CB
SCHEMBL18170608 0.81 KDR (0.52) KDRROCK2MAP3K9MAP3K11CHEK1
SCHEMBL1292744 0.81 AURKA (0.48) KDRWEE1PIK3CDPIK3CAPIK3CB

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 KDR 3226/4885WEE1 965/4885PIK3CD 4159/4885

“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.