SCHEMBL3246499

SCHEMBL3246499

Cc1ccc2ncc(Cl)c(CCN3CC[C@@H](N)[C@@H](F)C3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.34
KCNH2 Q12809 3/20 0.34
SLC2A1 P11166 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SSTR2 P30874 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL3246504 1.00 PTPN11 (0.34) PTPN11KCNH2SLC2A1KDM4EGAA
SCHEMBL3253088 1.00 PTPN11 (0.34) PTPN11KCNH2SLC2A1KDM4EGAA
SCHEMBL3253090 1.00 PTPN11 (0.34) PTPN11KCNH2SLC2A1KDM4EGAA
SCHEMBL6079988 0.78 CYP19A1 (0.45) KCNH2SLC2A1SSTR2
SCHEMBL6080374 0.78 SSTR2 (0.37) PTPN11KCNH2SLC2A1SSTR2
SCHEMBL6080089 0.77 SSTR2 (0.44) KCNH2SLC2A1SSTR2
SCHEMBL13356503 0.77 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL5744836 0.76 SSTR2 (0.48) KCNH2SLC2A1SSTR2
SCHEMBL5657153 0.76 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL5747963 0.76 SLC2A1 (0.46) KCNH2SLC2A1

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
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 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-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS PTPN11 4239/4885KCNH2 1182/4885SLC2A1 3708/4885

“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.