SCHEMBL2916099

SCHEMBL2916099

Nc1ccc2c(c1)C1CCCC2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.63
CHRNA4 P43681 9/20 0.63
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB4 P30926 5/20 0.36
CHRNA3 P32297 5/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRND Q07001 2/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
RARG P13631 2/20 0.33
RARB P10826 1/20 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
SCHEMBL451775 0.91 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2913382 0.89 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1
SCHEMBL26291025 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1
SCHEMBL25989709 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1
SCHEMBL26309023 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1
SCHEMBL23567637 0.82 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1
SCHEMBL6937141 0.82 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1
SCHEMBL14003850 0.78 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14364780 0.78 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29761232 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20070224690-A1 VARENICLINE STANDARDS AND IMPURITY CONTROLS PFIZER INC 2007-09-27 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CHRNB2 4478/4885CHRNA4 4066/4885ALDH1A1 77/4885

“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.