SCHEMBL4481352

SCHEMBL4481352

CC(C)(N)C#Cc1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PLAU P00749 1/20 0.33
GBA1 P04062 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM5 P41594 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL4520127 0.82 TTBK1 (0.38) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL30707895 0.77 PTGES2 (0.33) GBA1KDM4EALDH1A1PTGES2
SCHEMBL15991273 0.75 ADRA2A (0.38) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL165965 0.74 GBA1 (0.33) GBA1KDM4EALDH1A1
SCHEMBL3212577 0.72 ADRA2A (0.36) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL4764055 0.70 GBA1 (0.43) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL31257818 0.70 GRM5 (0.49) ALDH1A1GRM5
SCHEMBL16200002 0.69 MAPT (0.39) GRM5PTGES2
SCHEMBL29413880 0.68 GBA1 (0.41) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL28553157 0.68 GBA1 (0.41) ADRA2AADRA2BADRA2CPLAUGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 CN disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK ADRA2A 2924/4885ADRA2B 2961/4885ADRA2C 2798/4885

“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.