SCHEMBL481798

SCHEMBL481798

CN1CCCCC1Cc1cnc(N)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
CYP1A2 P05177 1/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB3 Q05901 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL482011 0.74 CYP11B2 (0.41)
SCHEMBL13452595 0.72 HRH3 (0.49) ADRA2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL13452622 0.71 ADRA2A (0.43) ADRA2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2210053 0.70 KAT2B (0.43) ADRA2ACHRNB2CHRNA4
SCHEMBL29519954 0.70 HRH3 (0.46) CYP1A2
SCHEMBL13452389 0.70 NOS1 (0.41) ADRA2ACYP1A2CHRNB1CHRNB2CHRNB4
SCHEMBL481835 0.69 CYP1A2 (0.48) CYP1A2
SCHEMBL11473707 0.68 ALDH1A1 (0.49) ADRA2ACYP1A2
SCHEMBL12090382 0.67 HRH3 (0.54) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22230354 0.66 LMNA (0.45)

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 ADRA2A 1808/4885CYP1A2 997/4885CHRNB1 3835/4885

“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.