SCHEMBL3046629

SCHEMBL3046629

CCc1ccc(I)c2c1CNC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 4/20 0.37
MAP3K11 Q16584 4/20 0.37
CHEK1 O14757 2/20 0.33
PRKD3 O94806 2/20 0.33
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
PRKCA P17252 2/20 0.33
PRKCH P24723 2/20 0.33
PRKCI P41743 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCZ Q05513 2/20 0.33
PRKCD Q05655 2/20 0.33
PRKD1 Q15139 2/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
CDK4 P11802 1/20 0.33
CTRB1 P17538 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33

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
SCHEMBL3044217 0.79 KDR (0.39) MAP3K9MAP3K11CHEK1PRKD3PRKCG
SCHEMBL3039244 0.79 PARP1 (0.36) MAP3K9MAP3K11CHEK1PRKD3PRKCG
SCHEMBL20930991 0.77 HSP90AB1 (0.39) MAP3K9MAP3K11CHEK1PRKD3PRKCG
SCHEMBL3040957 0.75 ROCK2 (0.37) MAP3K9MAP3K11PRKD3PRKCGPRKCB
SCHEMBL3046642 0.75 MAP3K9 (0.36) MAP3K9MAP3K11CHEK1PRKD3PRKCG
SCHEMBL3048539 0.75 CLK1 (0.43) MAP3K9MAP3K11CHEK1PRKD3PRKCG
SCHEMBL3038567 0.75 KDM4E (0.43) MAP3K9MAP3K11KDR
SCHEMBL18170487 0.70 KDR (0.54) KDR
SCHEMBL3044048 0.70 KDM4E (0.33) MAP3K9MAP3K11
SCHEMBL3039949 0.70 MAP3K9 (0.50) MAP3K9MAP3K11PRKD3PRKCGPRKCB

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 3080/4885CHEK1 3306/4885

“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.