SCHEMBL482011

SCHEMBL482011

Nc1ncc(CC2CCCCC2)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
HRH4 Q9H3N8 4/20 0.39
HTR3A P46098 1/20 0.39
FEN1 P39748 1/20 0.35
CDK2 P24941 4/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 3/20 0.35
PNP P00491 1/20 0.35
MEN1 O00255 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
ATR Q13535 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
GSK3B P49841 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL481935 0.83 CYP11B2 (0.40) CYP11B2MTORATRMCHR1
SCHEMBL481911 0.79 MAP4K4 (0.33)
SCHEMBL481912 0.79 MAP4K4 (0.33)
SCHEMBL481577 0.77 MCHR1 (0.39) CYP11B2MTORMCHR1
SCHEMBL18502898 0.74 CYP11B2 (0.54) CYP11B2HRH4HTR3ACDK2PNP
SCHEMBL28819054 0.71 NFE2L2 (0.44) CYP11B2HRH4HTR3AFEN1JAK2
SCHEMBL16654084 0.70 PDE10A (0.56) MEN1KMT2A
SCHEMBL1318801 0.70 CDK2 (0.43) CDK2
SCHEMBL5036361 0.70 HTR3A (0.38) CYP11B2HRH4HTR3AFEN1HRH3
SCHEMBL3468993 0.70 HRH3 (0.38) CYP11B2HRH4FEN1CDK2CCNA2

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-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA CYP11B2 163/4885HRH4 940/4885HTR3A 2470/4885

“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.