SCHEMBL13620414

SCHEMBL13620414

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(-c2ccccc2F)ccc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP1 O94782 9/20 0.35
KDM1A O60341 3/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MCHR1 Q99705 2/20 0.35
ADRA2A P08913 1/20 0.35
NPY5R Q15761 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIM1 P11309 2/20 0.34
PRKCQ Q04759 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
SCHEMBL13620048 0.93 USP1 (0.38) USP1KDM1A
SCHEMBL13620412 0.93 KDM1A (0.39) USP1KDM1AMCHR1ADRA2ANPY5R
SCHEMBL13620259 0.92 KDM1A (0.41) USP1KDM1AGRIN1GRIN2BADORA2A
SCHEMBL3845553 0.92 TRIM58 (0.40) USP1KDM1AMCHR1ADRA2ANPY5R
SCHEMBL3845548 0.92 TRIM58 (0.40) USP1KDM1AMCHR1ADRA2ANPY5R
SCHEMBL12371645 0.88 PRKCQ (0.43) USP1KDM1AMCHR1ADRA2ANPY5R
SCHEMBL12371661 0.88 PRKCQ (0.43) USP1KDM1AMCHR1ADRA2ANPY5R
SCHEMBL12371632 0.88 PRKCQ (0.43) USP1KDM1AMCHR1ADRA2ANPY5R
SCHEMBL13620052 0.88 GRIN1 (0.37) USP1KDM1AGRIN1GRIN2BMCHR1
SCHEMBL13620376 0.87 KDM1A (0.42) KDM1AGRIN1GRIN2BADORA2AADORA1

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 USP1 3253/4885KDM1A 1070/4885GRIN1 554/4885

“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.