SCHEMBL7106481

SCHEMBL7106481

CN1CCCC1CNc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.56
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CHRNB2 P17787 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
HTR6 P50406 4/20 0.46

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
SCHEMBL13162978 1.00 KAT2B (0.56) KAT2BCARM1PRMT6CHRNB2CHRNA7
SCHEMBL4443892 1.00 KAT2B (0.56) KAT2BCARM1PRMT6CHRNB2CHRNA7
SCHEMBL2267302 0.84 CHRNB2 (0.50) KAT2BCHRNB2CHRNA7CHRNA4CHRNB4
SCHEMBL2267304 0.84 CHRNB2 (0.50) KAT2BCHRNB2CHRNA7CHRNA4CHRNB4
SCHEMBL14626061 0.81 RAB9A (0.51) CARM1PRMT6
SCHEMBL18685000 0.80 CASP3 (0.43) KAT2BCARM1PRMT6CHRNB2CHRNA7
SCHEMBL5378500 0.80 CASP3 (0.43) KAT2BCARM1PRMT6
SCHEMBL30969256 0.78 KAT2B (0.45) KAT2BCHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8055430 0.78 EPHX1 (0.58) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL13220244 0.78 CXCR4 (0.50) KAT2BCHRNB2CHRNA7CHRNA4CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof OSI PHARMACEUTICALS INC. 2003-07-24 US claimed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof OSI PHARMACEUTICALS INC. 2003-07-24 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 (3 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 KAT2B 592/4885CARM1 273/4885PRMT6 276/4885
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof ADORA2A, ADORA3, ADORA1 KAT2B 4681/4885CARM1 4042/4885PRMT6 3134/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 KAT2B 661/4885CARM1 3449/4885PRMT6 2800/4885

“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.