SCHEMBL25928979

SCHEMBL25928979

CC(C)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 0.79
KCNH2 Q12809 4/20 0.79
PIM3 Q86V86 1/20 0.77
PIM2 Q9P1W9 1/20 0.77
CDK2 P24941 2/20 0.58
CCNT1 O60563 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK9 P50750 1/20 0.58
CDK5 Q00535 1/20 0.58
DYRK1A Q13627 1/20 0.58
CDK5R1 Q15078 1/20 0.58
DYRK2 Q92630 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
JAK2 O60674 1/20 0.57
FLT3 P36888 1/20 0.57
GSK3B P49841 1/20 0.57
JAK3 P52333 1/20 0.57
PRKCQ Q04759 1/20 0.57
IRAK4 Q9NWZ3 1/20 0.57

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
SCHEMBL21475438 1.00 PIM1 (0.79) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL19987100 0.89 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL102865 0.88 PIM1 (1.00) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL136162 0.88 PIM1 (1.00) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL14639168 0.87 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL14639167 0.87 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL16211202 0.87 PIM1 (0.79) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL24736843 0.87 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL19987067 0.87 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
Nuvisertib SCHEMBL19986953 0.87 PIM1 (1.00) PIM1KCNH2PIM3PIM2CDK2

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-20230233557-A1 FORMULATIONS COMPRISING HETEROCYCLIC PROTEIN KINASE INHIBITORS SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-07-27 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-20230233557-A1 FORMULATIONS COMPRISING HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, GK, PIM2 PIM1 1/4885KCNH2 1459/4885PIM3 6/4885

“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.