SCHEMBL29408652

SCHEMBL29408652

FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)nn23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 1.00
FLT3 P36888 2/20 0.81
GSK3B P49841 2/20 0.81
JAK2 O60674 1/20 0.81
CDK2 P24941 1/20 0.81
JAK3 P52333 1/20 0.81
PRKCQ Q04759 1/20 0.81
IRAK4 Q9NWZ3 1/20 0.81
AURKA O14965 1/20 0.81
MALT1 Q9UDY8 1/20 0.59
KCNH2 Q12809 1/20 0.57
PIM3 Q86V86 1/20 0.56
PIM2 Q9P1W9 1/20 0.56

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
SCHEMBL14422679 1.00 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422677 0.97 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422660 0.95 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL4783817 0.83 PIM1 (0.87) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL24736891 0.82 PIM1 (0.70) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL19987067 0.82 PIM1 (0.83) PIM1CDK2KCNH2PIM3PIM2
SCHEMBL24736843 0.82 PIM1 (0.83) PIM1CDK2KCNH2PIM3PIM2
SCHEMBL14422627 0.81 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL24736869 0.81 PIM1 (0.67) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422665 0.80 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2

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-20220061311-A1 COMPOSITIONS AND METHODS FOR REDUCING CRYOPRESERVATION TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-03-03 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-20220061311-A1 COMPOSITIONS AND METHODS FOR REDUCING CRYOPRESERVATION TOXICITY IQGAP1, UGGT1, FLNA PIM1 885/4885FLT3 1790/4885GSK3B 1548/4885

“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.