SCHEMBL13620037

SCHEMBL13620037

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(-c2ccc(F)cc2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.39
KDM1A O60341 1/20 0.38
FLT3 P36888 2/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
MERTK Q12866 1/20 0.36
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
CCNT1 O60563 1/20 0.34
CCNK O75909 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PTPN11 Q06124 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
SCHEMBL12371642 0.94 CHEK1 (0.41) CHEK1KDM1AFLT3JAK2JAK3
SCHEMBL12371637 0.94 CHEK1 (0.41) CHEK1KDM1AFLT3JAK2JAK3
SCHEMBL12371681 0.94 CHEK1 (0.41) CHEK1KDM1AFLT3JAK2JAK3
SCHEMBL13608123 0.89 BRD4 (0.40) KDM1AGRIN1GRIN2BMERTKJAK2
SCHEMBL12371641 0.86 CHEK1 (0.41) CHEK1KDM1AFLT3PTPN11
SCHEMBL12371650 0.86 CHEK1 (0.41) CHEK1KDM1AFLT3PTPN11
SCHEMBL12371657 0.86 CHEK1 (0.41) CHEK1KDM1AFLT3PTPN11
SCHEMBL3845548 0.83 TRIM58 (0.40) KDM1ACCNE1CDK2BRD4IRAK1
SCHEMBL3845553 0.83 TRIM58 (0.40) KDM1ACCNE1CDK2BRD4IRAK1
SCHEMBL13620252 0.83 USP1 (0.39) CHEK1KDM1AGRIN1GRIN2BJAK2

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 CHEK1 588/4885KDM1A 1070/4885FLT3 1554/4885

“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.