SCHEMBL4750437

SCHEMBL4750437

[c]1ccc2cc3ccncc3cc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
DYRK1A Q13627 1/20 0.47
PRKCZ Q05513 1/20 0.35
HASPIN Q8TF76 9/20 0.35
PIM1 P11309 3/20 0.35
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
CYP19A1 P11511 1/20 0.33
IKBKB O14920 1/20 0.32
MAPT P10636 1/20 0.32
MELK Q14680 1/20 0.32

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
SCHEMBL4750547 1.00 CLK1 (0.47) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL524746 0.79 ALDH1A1 (0.46) MAPT
SCHEMBL16357 0.79 KDM4E (0.32) CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL16316 0.79 MAP4K4 (0.34) CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL2139252 0.77 ALDH1A1 (0.44) MAPT
SCHEMBL4036768 0.76 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL445516 0.76 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156508 0.73 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156497 0.73 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156496 0.73 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130515-A1 ANTI-CANCER AGENTS, COMPOSITIONS AND METHODS OF TREATING CANCERS ACB, LLC (US) 2008-10-30 WO disclosed
US-20080255175-A1 Anti-cancer agents, compositions and methods of treating cancers ACB, LLC 2008-10-16 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-20080255175-A1 Anti-cancer agents, compositions and methods of treating cancers HCCS, EPOR, RAD51 CLK1 4719/4885CSNK1D 1174/4885CSNK1E 451/4885

“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.