SCHEMBL4036858

SCHEMBL4036858

c1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.64
FGFR1 P11362 1/20 0.63
FLT1 P17948 1/20 0.63
CHEK1 O14757 1/20 0.59
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
MTOR P42345 1/20 0.58
METAP2 P50579 1/20 0.58
RAB9A P51151 1/20 0.58
METAP1 P53582 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
WNT1 P04628 2/20 0.57
TGFBR1 P36897 1/20 0.57
CLK2 P49760 1/20 0.57
CLK3 P49761 1/20 0.57
DYRK1A Q13627 1/20 0.57
CDK4 P11802 3/20 0.54
CCNA2 P20248 3/20 0.54

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
SCHEMBL17594418 0.88 WNT1 (0.51) PDPK1FGFR1FLT1CHEK1WNT1
SCHEMBL3533024 0.87 PDPK1 (0.73) PDPK1FGFR1FLT1CHEK1WNT1
SCHEMBL5508118 0.85 PDPK1 (0.74) PDPK1FGFR1FLT1CHEK1NPC1
SCHEMBL14493653 0.84 MAP3K8 (0.66) PDPK1FGFR1FLT1CHEK1WNT1
SCHEMBL17566751 0.83 WNT1 (0.70) PDPK1FGFR1FLT1CHEK1NPC1
SCHEMBL17588534 0.82 DYRK1A (0.66) NPC1HPGDRAB9ASMN1; SMN2WNT1
SCHEMBL15868921 0.82 PDPK1 (0.64) PDPK1FGFR1FLT1CHEK1WNT1
SCHEMBL5513046 0.81 CDK4 (0.67) PDPK1FGFR1FLT1CHEK1CDK4
SCHEMBL18446639 0.81 CLK3 (0.54) WNT1CLK2CLK3DYRK1ALRRK2
SCHEMBL15869066 0.80 WNT1 (0.73) PDPK1FGFR1FLT1CHEK1WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US disclosed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO 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-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders PRKDC, PRKACA, ABL1 PDPK1 90/4885FGFR1 508/4885FLT1 860/4885

“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.