SCHEMBL1752482

SCHEMBL1752482

COC(=O)c1c(-c2ccc(F)cc2)nc(OS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)nc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.45
LMNA P02545 3/20 0.40
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
DHODH Q02127 1/20 0.38
NR3C1 P04150 1/20 0.35
GAA P10253 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HMGCR P04035 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL1752241 0.86 GCGR (0.45) GCGRLMNADHODHTP53MAPT
SCHEMBL1752085 0.85 GCGR (0.52) GCGRLMNADHODHTP53MAPT
SCHEMBL1751838 0.82 GCGR (0.47) GCGRLMNAENPP3ENPP1DHODH
SCHEMBL1751646 0.82 GCGR (0.47) GCGRLMNADHODHGAAMAPT
SCHEMBL1752361 0.81 GCGR (0.46) GCGRLMNADHODHTP53MAPT
SCHEMBL1752600 0.81 GCGR (0.46) GCGRLMNAENPP1DHODHTP53
SCHEMBL1752584 0.80 GCGR (0.49) GCGRLMNADHODHTP53MAPT
SCHEMBL1751150 0.76 GCGR (0.42) GCGRLMNADHODHGAAALDH1A1
SCHEMBL4756219 0.74 GCGR (0.54) GCGRLMNADHODHTP53MAPT
SCHEMBL30716573 0.73 GCGR (0.58) GCGRLMNADHODHTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614320-B2 Preparation of aminopyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2013-12-24 US disclosed
US-20120277432-A1 Preparation of Aminopyrimidine Compounds ASTRAZENECA UK LTD. (GB) 2012-11-01 US disclosed
US-8222412-B2 Preparation of aminopyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2012-07-17 US disclosed
US-20110160455-A1 Preparation of Aminopyrimidine Compounds ASTRAZENECA UK LTD. (GB) 2011-06-30 US disclosed
US-7816528-B2 Preparation of aminopyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2010-10-19 US disclosed
US-20080058520-A1 Preparation of Aminopyrimidine Compounds MATSUSHITA AKIO 2008-03-06 US disclosed
US-7304156-B2 Preparation of aminopyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2007-12-04 US disclosed
EP-1417180-B1 PREPARATION OF AMINOPYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2006-12-27 EP disclosed
EP-1417180-A4 PREPARATION OF AMINOPYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-10-27 EP disclosed
US-20040176401-A1 Preparation of aminopyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-09 US disclosed
EP-1417180-A1 PREPARATION OF AMINOPYRIMIDINE COMPOUNDS Astrazeneca UK Limited (GB) 2004-05-12 EP disclosed
WO-2003006439-A1 PREPARATION OF AMINOPYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2003-01-23 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 (4 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-20110160455-A1 Preparation of Aminopyrimidine Compounds DPYD, UMPS, IDH3B GCGR 3740/4885LMNA 4126/4885ENPP3 1999/4885
US-20040176401-A1 Preparation of aminopyrimidine compounds DPYD, IDH3B, UMPS GCGR 3928/4885LMNA 4017/4885ENPP3 2265/4885
US-20080058520-A1 Preparation of Aminopyrimidine Compounds DPYD, UMPS, IDH3B GCGR 3740/4885LMNA 4126/4885ENPP3 1999/4885
US-20120277432-A1 Preparation of Aminopyrimidine Compounds DPYD, UMPS, IDH3B GCGR 3740/4885LMNA 4126/4885ENPP3 1999/4885

“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.