SCHEMBL5889086

SCHEMBL5889086

CC(=O)N1CCN(c2cc(N)ncn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
KDR P35968 1/20 0.52
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
LRRK2 Q5S007 4/20 0.47
NCF1 P14598 1/20 0.46
GBA1 P04062 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
SMO Q99835 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ROCK2 O75116 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL20445971 0.86 KMO (0.44) MAP4K4KDRLOXL2ALDH1A1ROCK2
SCHEMBL12051485 0.83 GBA1 (0.57) MAP4K4KDRLRRK2NCF1GBA1
SCHEMBL27460594 0.81 KDR (0.49) MAP4K4KDRLRRK2GBA1ACHE
SCHEMBL14276922 0.81 SMO (0.50) MAP4K4KDRLRRK2GBA1ACHE
SCHEMBL6797934 0.80 MAP4K4 (0.60) MAP4K4CKS1BSKP1SKP2ALDH1A1
SCHEMBL31704705 0.80 KMO (0.64) MAP4K4KDRLRRK2GBA1ACHE
SCHEMBL807737 0.78 HRH4 (0.59) MAP4K4KDM4EALDH1A1
SCHEMBL5469792 0.78 HRH4 (0.64) MAP4K4CASP6GFERNCF1GBA1
SCHEMBL31706127 0.77 KDR (0.48) MAP4K4KDRLRRK2GBA1ACHE
SCHEMBL6801741 0.76 MAP4K4 (0.55) MAP4K4CKS1BSKP1SKP2

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-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
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 MAP4K4 79/4885KDR 5/4885CASP6 961/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAP4K4 79/4885KDR 5/4885CASP6 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.