SCHEMBL13620429

SCHEMBL13620429

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.36
FLT3 P36888 3/20 0.36
KCNH2 Q12809 3/20 0.36
PIM3 Q86V86 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
DDR1 Q08345 2/20 0.35
KDM1A O60341 3/20 0.35
CHEK1 O14757 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
JAK1 P23458 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
SCHEMBL13620252 0.88 USP1 (0.39) ADORA2AADORA1DDR1KDM1ACHEK1
SCHEMBL13608322 0.87 HSP90AA1 (0.44) ADORA2AADORA1DDR1KDM1ACYP3A4
SCHEMBL13620509 0.86 KDM1A (0.37) ADORA2AADORA1KDM1ABRD4ATAD2
SCHEMBL13608379 0.86 BRD4 (0.40) KCNH2ADORA2AADORA1KDM1ABRD4
SCHEMBL12371661 0.85 PRKCQ (0.43) ADORA2AADORA1KDM1ACHEK1CYP2C9
SCHEMBL12371632 0.85 PRKCQ (0.43) ADORA2AADORA1KDM1ACHEK1CYP2C9
SCHEMBL12371645 0.85 PRKCQ (0.43) ADORA2AADORA1KDM1ACHEK1CYP2C9
SCHEMBL12371698 0.84 JAK2 (0.41) ADORA2AADORA1KDM1ACYP3A4CYP2C9
SCHEMBL3848468 0.84 MCHR1 (0.42) DDR1KDM1ABRD4ATAD2
SCHEMBL13620230 0.84 BRD4 (0.37) PIM1FLT3KCNH2PIM3PIM2

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 PIM1 596/4885FLT3 1554/4885KCNH2 1470/4885

“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.