SCHEMBL13849255

SCHEMBL13849255

Cc1[nH]nc(-c2nc3ccc(C(C)C)cc3[nH]2)c1C(=O)NC1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
FLT3 P36888 10/20 0.42
BRD4 O60885 3/20 0.42
FGFR1 P11362 2/20 0.40
FLT1 P17948 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DCLK1 O15075 1/20 0.40
PDPK1 O15530 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 1/20 0.40
AXL P30530 1/20 0.40
FLT4 P35916 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL13849262 0.89 HTR3E (0.45) CHEK1FLT3HDAC3HDAC1HDAC2
SCHEMBL13849208 0.86 NR2E3 (0.44) CHEK1FLT3BRD4PDPK1MAPK1
SCHEMBL13849221 0.86 CHEK1 (0.42) CHEK1FLT3BRD4FGFR1FLT1
SCHEMBL13849227 0.85 CHEK1 (0.55) CHEK1FLT3FGFR1FLT1DCLK1
SCHEMBL13849252 0.84 EGFR (0.43) CHEK1FLT3BRD4PDPK1MAPK1
SCHEMBL13849258 0.84 CHRNA7 (0.42) CHEK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13849261 0.84 CHRNA7 (0.42) CHEK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13850417 0.78 FLT3 (0.39) FLT3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5952481 0.78 CHEK1 (0.48) CHEK1FLT3PDPK1
SCHEMBL13849234 0.77 DYRK1A (0.41) CHEK1FLT3BRD4DCLK1PDPK1

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
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 CHEK1 2/4885FLT3 344/4885BRD4 364/4885

“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.