SCHEMBL3046642

SCHEMBL3046642

O=C1NCc2c(F)ccc(I)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 2/20 0.36
MAP3K11 Q16584 2/20 0.36
TDP2 O95551 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CA P42336 1/20 0.35
JAK3 P52333 2/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
GLI1 P08151 1/20 0.34
GLI2 P10070 1/20 0.34
CDK4 P11802 1/20 0.34
PRKCA P17252 1/20 0.34
CTRB1 P17538 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
CCND1 P24385 1/20 0.34
PRKCH P24723 1/20 0.34

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
SCHEMBL6028446 0.84 MAP3K9 (0.40) MAP3K9MAP3K11PIK3CDPIK3CBPIK3CA
SCHEMBL31158640 0.84 MAP3K9 (0.40) MAP3K9MAP3K11PIK3CDPIK3CBPIK3CA
SCHEMBL3039244 0.78 PARP1 (0.36) MAP3K9MAP3K11TDP2JAK3PRKD3
SCHEMBL3048539 0.78 CLK1 (0.43) MAP3K9MAP3K11TDP2PIK3CDPIK3CB
SCHEMBL3040957 0.78 ROCK2 (0.37) MAP3K9MAP3K11TDP2PIK3CDPIK3CB
SCHEMBL2527674 0.78 KDR (0.38) MAP3K9MAP3K11PIK3CDPIK3CBPIK3CA
SCHEMBL3046629 0.75 MAP3K9 (0.37) MAP3K9MAP3K11JAK3PRKD3PRKCG
SCHEMBL3037900 0.74 PIK3CD (0.35) MAP3K9MAP3K11PIK3CDPIK3CBPIK3CA
SCHEMBL3038567 0.74 KDM4E (0.43) MAP3K9MAP3K11ROCK2
SCHEMBL3039949 0.73 MAP3K9 (0.50) MAP3K9MAP3K11PIK3CDPIK3CBPIK3CA

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 MAP3K9 3221/4885MAP3K11 3080/4885TDP2 4292/4885

“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.