SCHEMBL25044286

SCHEMBL25044286

Cc1cccc(Cl)c1-c1cc(NC2CCNCC2)c2nc(N)ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
HRH3 Q9Y5N1 1/20 0.41
BRD4 O60885 3/20 0.41
ATAD2 Q6PL18 3/20 0.41
JAK2 O60674 6/20 0.40
JAK1 P23458 6/20 0.40
TYK2 P29597 6/20 0.40
JAK3 P52333 6/20 0.40
KDR P35968 5/20 0.40
AURKB Q96GD4 5/20 0.40
SRC P12931 2/20 0.39
MAPK14 Q16539 1/20 0.37
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNT1 O60563 1/20 0.36
FGFR1 P11362 1/20 0.35

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
SCHEMBL30175753 1.00 ABL1 (0.45) ABL1HRH3BRD4ATAD2JAK2
SCHEMBL23332369 0.88 JAK2 (0.46) ABL1HRH3BRD4ATAD2JAK2
SCHEMBL30175712 0.88 JAK2 (0.46) ABL1HRH3BRD4ATAD2JAK2
SCHEMBL30175742 0.87 KDR (0.54) ABL1BRD4ATAD2JAK2JAK1
SCHEMBL25043278 0.87 KDR (0.54) ABL1BRD4ATAD2JAK2JAK1
SCHEMBL23332395 0.86 CYP1A2 (0.45) ABL1BRD4ATAD2JAK2JAK1
SCHEMBL30175699 0.86 CYP1A2 (0.45) ABL1BRD4ATAD2JAK2JAK1
SCHEMBL25044152 0.85 JAK2 (0.47) ABL1HRH3JAK2JAK1TYK2
SCHEMBL30175725 0.85 JAK2 (0.47) ABL1HRH3JAK2JAK1TYK2
SCHEMBL23301875 0.84 BRD4 (0.43) ABL1BRD4ATAD2MAPK14MEN1

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-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 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-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 ABL1 444/4885HRH3 843/4885BRD4 321/4885

“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.