SCHEMBL13620412

SCHEMBL13620412

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(-c2ccccc2Cl)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
USP1 O94782 12/20 0.36
MCHR1 Q99705 2/20 0.34
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
CDK9 P50750 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRKCQ Q04759 1/20 0.34
S1PR2 O95136 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
SCHEMBL13620414 0.93 USP1 (0.35) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL13620048 0.92 USP1 (0.38) KDM1AUSP1
SCHEMBL3845553 0.91 TRIM58 (0.40) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL3845548 0.91 TRIM58 (0.40) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL12371645 0.87 PRKCQ (0.43) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL12371661 0.87 PRKCQ (0.43) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL12371632 0.87 PRKCQ (0.43) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL13620052 0.87 GRIN1 (0.37) KDM1AUSP1MCHR1ADRA2ANPY5R
SCHEMBL13620376 0.86 KDM1A (0.42) KDM1ACYP3A4
SCHEMBL13620483 0.86 KDM1A (0.47) KDM1AUSP1

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 KDM1A 1070/4885USP1 3253/4885MCHR1 3804/4885

“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.