SCHEMBL6801706

SCHEMBL6801706

CC(=O)N1CCN(c2nc(N)cc(Cl)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.53
GBA1 P04062 1/20 0.50
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45
PIK3CA P42336 2/20 0.42
SMO Q99835 1/20 0.42
PTPN11 Q06124 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAP4K4 O95819 1/20 0.40
CLK1 P49759 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL29931498 0.87 NCF1 (0.42) NCF1GBA1HRH4HSD17B10
SCHEMBL21192964 0.84 GBA1 (0.66) NCF1GBA1SMOTP53MAPT
SCHEMBL11823091 0.82 MEN1 (0.55) PTPN11TP53MAPTHSD17B10
SCHEMBL29931618 0.81 PIK3CA (0.48) GBA1PIK3CAPTPN11MAP4K4MAPT
SCHEMBL27029463 0.81 PIK3CA (0.48) GBA1PIK3CAPTPN11MAP4K4MAPT
SCHEMBL10143602 0.77 HRH4 (0.54) NCF1HRH4HSD17B10
SCHEMBL19690964 0.76 CASP6 (0.51) NCF1GBA1CASP6GFERCLK1
SCHEMBL10143604 0.76 HRH4 (0.53) NCF1HRH4HSD17B10
SCHEMBL29970452 0.76 GBA1 (0.51) NCF1GBA1CASP6GFERPIK3CA
SCHEMBL6800518 0.75 ACHE (0.55) NCF1GBA1CASP6GFERSMO

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-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 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 (2 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NCF1 920/4885GBA1 2573/4885CASP6 961/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NCF1 920/4885GBA1 2573/4885CASP6 961/4885

“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.