SCHEMBL13620511

SCHEMBL13620511

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(C2CCCCC2)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.37
PTK2 Q05397 2/20 0.34
CDK4 P11802 2/20 0.33
MCHR1 Q99705 2/20 0.33
DDR1 Q08345 2/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
KDM1A O60341 1/20 0.33
FASN P49327 1/20 0.33
CAMK2D Q13557 1/20 0.33
CDK6 Q00534 1/20 0.33
BRD4 O60885 2/20 0.32
ATAD2 Q6PL18 1/20 0.32
PRKCQ Q04759 1/20 0.32
USP1 O94782 4/20 0.32
FLT4 P35916 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL13620045 0.91 CAMK2D (0.38) TRIM58CDK4KDM1ACAMK2DBRD4
SCHEMBL3848468 0.88 MCHR1 (0.42) MCHR1DDR1ADRA2ANPY5RKDM1A
SCHEMBL3848466 0.88 MCHR1 (0.42) MCHR1DDR1ADRA2ANPY5RKDM1A
SCHEMBL13620423 0.88 USP1 (0.38) MCHR1DDR1ADRA2ANPY5RKDM1A
SCHEMBL13620230 0.88 BRD4 (0.37) CDK4MCHR1DDR1ADRA2ANPY5R
SCHEMBL13620229 0.87 KDM1A (0.44) DDR1KDM1AFASNUSP1CHEK1
SCHEMBL13620288 0.87 USP1 (0.36) MCHR1DDR1ADRA2ANPY5RKDM1A
SCHEMBL13620283 0.86 CDK4 (0.34) CDK4MCHR1DDR1ADRA2ANPY5R
SCHEMBL12371632 0.86 PRKCQ (0.43) MCHR1ADRA2ANPY5RKDM1ABRD4
SCHEMBL12371645 0.86 PRKCQ (0.43) MCHR1ADRA2ANPY5RKDM1ABRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ TRIM58 4267/4885PTK2 699/4885CDK4 769/4885

“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.