SCHEMBL3047003

SCHEMBL3047003

O=C1NCc2c(Cl)ccc(-c3[nH]c4ccccc4c3C#CCCO)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 6/20 0.40
MAP3K11 Q16584 6/20 0.40
PRKCA P17252 5/20 0.39
PRKCQ Q04759 4/20 0.39
PRKCD Q05655 4/20 0.39
PRKD3 O94806 3/20 0.39
PRKCG P05129 3/20 0.39
PRKCB P05771 3/20 0.39
PRKCH P24723 3/20 0.39
PRKCI P41743 3/20 0.39
PRKCE Q02156 3/20 0.39
PRKCZ Q05513 3/20 0.39
PRKD1 Q15139 3/20 0.39
GLI1 P08151 2/20 0.39
GLI2 P10070 2/20 0.39
CDK4 P11802 1/20 0.39
CTRB1 P17538 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39

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
SCHEMBL3046598 0.76 CDK4 (0.39) PRKCAPRKCQPRKCDPRKD3PRKCG
SCHEMBL3048043 0.73 CCNB2 (0.35) MAP3K9MAP3K11JAK3ROCK1CLK1
SCHEMBL3033775 0.66 KDR (0.63) MAP3K9MAP3K11PRKCAPRKCQPRKCD
SCHEMBL13290543 0.65 ALDH1A1 (0.51)
SCHEMBL3042558 0.65 NPC1 (0.52) ROCK2PIM1ROCK1KDR
SCHEMBL3053071 0.63 ALDH1A1 (0.51) PRKCAPRKCQPRKCDPRKCBPRKCH
SCHEMBL3048710 0.62 HSD17B10 (0.50) PRKCAPRKCQPRKCDPRKCBPRKCH
SCHEMBL30897563 0.61 MEN1 (0.69) MAP3K9MAP3K11PRKCAPRKCQPRKCD
SCHEMBL13025156 0.60 MAP3K11 (0.60) MAP3K9MAP3K11PRKCAPRKCQPRKCD
SCHEMBL23089702 0.60 PIM1 (0.44) MAP3K9MAP3K11PRKCAPRKCQPRKCD

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 3080/4885PRKCA 4487/4885

“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.