SCHEMBL1752241

SCHEMBL1752241

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.45
LMNA P02545 4/20 0.40
DHODH Q02127 1/20 0.40
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TP53 P04637 3/20 0.34
AKT1 P31749 1/20 0.33
GABRA5 P31644 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 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
SCHEMBL1751646 0.86 GCGR (0.47) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1752482 0.86 GCGR (0.45) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1752085 0.86 GCGR (0.52) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1751838 0.83 GCGR (0.47) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1752600 0.82 GCGR (0.46) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1752361 0.82 GCGR (0.46) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1752584 0.81 GCGR (0.49) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL1751150 0.77 GCGR (0.42) GCGRLMNADHODHSMN1; SMN2MEN1
SCHEMBL14282780 0.77 GCGR (0.58) GCGRLMNADHODHMAPTSMN1; SMN2
SCHEMBL4756219 0.75 GCGR (0.54) GCGRLMNADHODHMAPTSMN1; SMN2

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 4126/4885DHODH 192/4885
US-20040176401-A1 Preparation of aminopyrimidine compounds DPYD, IDH3B, UMPS GCGR 3928/4885LMNA 4017/4885DHODH 229/4885
US-20080058520-A1 Preparation of Aminopyrimidine Compounds DPYD, UMPS, IDH3B GCGR 3740/4885LMNA 4126/4885DHODH 192/4885
US-20120277432-A1 Preparation of Aminopyrimidine Compounds DPYD, UMPS, IDH3B GCGR 3740/4885LMNA 4126/4885DHODH 192/4885

“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.