SCHEMBL1751646

SCHEMBL1751646

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.47
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.39
PTGS2 P35354 5/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 4/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL1752361 0.91 GCGR (0.46) GCGRLMNADHODHPTGS2CA12
SCHEMBL1752600 0.91 GCGR (0.46) GCGRLMNADHODHPTGS2CA12
SCHEMBL1751838 0.91 GCGR (0.47) GCGRLMNADHODHCA12CA1
SCHEMBL1752241 0.86 GCGR (0.45) GCGRLMNADHODHPTGS2CA12
SCHEMBL1752085 0.85 GCGR (0.52) GCGRLMNADHODHPTGS2CA12
SCHEMBL2222044 0.85 PTGS2 (0.38) GCGRPTGS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL1752584 0.82 GCGR (0.49) GCGRLMNADHODHCA12CA1
SCHEMBL2341949 0.82 PTGS2 (0.38) LMNAPTGS2CA12CA2MAPT
SCHEMBL2341083 0.82 PTGS2 (0.38) LMNAPTGS2CA12CA2MAPT
SCHEMBL2343484 0.82 PTGS2 (0.38) LMNAPTGS2CA12CA2MAPT

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 16 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
CN-100349877-C Preparation of aminopyrimidine compounds. ASTRAZENECA UK LTD (GB) 2007-11-21 CN disclosed
CN-1301977-C Process for preparing aminopyrimidine compounds ASTRA ZENECA BRITISH CO LTD (GB) 2007-02-28 CN disclosed
EP-1417180-B1 PREPARATION OF AMINOPYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2006-12-27 EP disclosed
CN-1763016-A Preparation of aminopyrimidine compounds. ASTRAZENECA UK LTD (GB) 2006-04-26 CN 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
CN-1527821-A Process for preparing aminopyrimidine compounds 2004-09-08 CN 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.