SCHEMBL1752471

SCHEMBL1752471

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.57
LMNA P02545 3/20 0.54
DHODH Q02127 1/20 0.45
IKBKB O14920 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK13 O15264 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL3843460 0.86 PRKCZ (0.52) GCGRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL30716573 0.86 GCGR (0.58) GCGRLMNADHODHIKBKBRAB9A
SCHEMBL1751791 0.86 GCGR (0.58) GCGRLMNADHODHIKBKBRAB9A
SCHEMBL14282780 0.86 GCGR (0.58) GCGRLMNADHODHIKBKBRAB9A
SCHEMBL6082682 0.85 ADORA2A (0.44) GCGRLMNADHODHADORA2AADORA1
SCHEMBL30414624 0.85 GCGR (0.57) GCGRLMNADHODHIKBKBRAB9A
SCHEMBL1751492 0.85 GCGR (0.57) GCGRLMNADHODHIKBKBRAB9A
SCHEMBL1752147 0.84 GCGR (0.56) GCGRLMNADHODHIKBKBRAB9A
SCHEMBL4787798 0.83 GCGR (0.43) GCGRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL945897 0.82 GCGR (0.55) GCGRLMNADHODHIKBKBRAB9A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784171-B2 REACTION OF METHYL 2-AMINO-4-(4-FLUOROPHENYL)-6-ISOPROPYL-PYRIMIDINE-5-CARBOXYLATE WITH METHANESULFONYL CHLORIDE IN THE PRESENCE OF STRONG BASE, REACTION OF THE INTERMEDIATE WITH A METHYLATING AGENT IN PRESENCE OF STRONG BASE ASTRAZENECA (SE) 2004-08-31 US claimed
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-8273878-B2 Process for the preparation of pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2012-09-25 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
EP-1873148-B1 Pharmaceutical compositions containing crystalline salts of 7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid ASTRAZENECA AB (SE) 2009-11-18 EP disclosed
EP-1578731-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2009-11-11 EP disclosed
US-20090264654-A1 PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2009-10-22 US disclosed
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. VEITH ULRICH (CH) 2003-10-23 US disclosed
US-6579984-B1 Economical, industrially feasible LONZA AG (CH) 2003-06-17 US disclosed
US-20030045718-A1 Crystalline salts of 7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3r,5s)-3,5-dihydroxyhept-6-enoic acid SHIONOGI & CO. LTD. (JP) 2003-03-06 US disclosed
WO-2003006439-A1 PREPARATION OF AMINOPYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2003-01-23 WO disclosed
EP-1263739-A1 CRYSTALLINE SALTS OF 7-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[METHYL(METHYLSULFONYL)AMINO]PYRIMIDIN-5-YL]-(3R,5S)-3,5-DIHYDROXYHEPT-6-ENOIC ACID AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1194414-A1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE Lonza AG (CH) 2002-04-10 EP disclosed
EP-1155015-A1 PROCESS FOR THE PRODUCTION OF TERT-BUTYL (E)-(6-[2-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[METHYL(METHYLSULFONYL)AMINO]PYRIMIDIN-5-YL]VINYL](4R,6S)-2,2-DIMETHYL[1,3]DIOXAN-4-YL)ACETATE AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2001060804-A1 CRYSTALLINE SALTS OF 7-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[METHYL(METHYLSULFONYL)AMINO]PYRIMIDIN-5-YL]-(3R,5S)-3,5-DIHYDROXYHEPT-6-ENOIC ACID ASTRAZENECA AB (SE) 2001-08-23 WO disclosed
WO-2001004100-A1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE LONZA AG (CH) 2001-01-18 WO disclosed
WO-2000049014-A1 PROCESS FOR THE PRODUCTION OF TERT-BUTYL (E)-(6-[2- [4-(4-FLUOROPHENYL) -6-ISOPROPYL-2-[ METHYL (METHYLSULFONYL) AMINO] PYRIMIDIN-5-YL] VINYL](4R, 6S)-2,2-DIMETHYL [1,3]DIOXAN-4-YL) ACETATE ASTRAZENECA AB (SE) 2000-08-24 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 (5 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-20090264654-A1 PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS DPYD, RIOX2, CCNE1 GCGR 2600/4885LMNA 2945/4885DHODH 88/4885
US-20030045718-A1 Crystalline salts of 7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3r,5s)-3,5-dihydroxyhept-6-enoic acid EIF5B, SF3B5, NT5C3B GCGR 1863/4885LMNA 2872/4885DHODH 126/4885
US-20110160455-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
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. PFAS, F7, AFF1 GCGR 2758/4885LMNA 1641/4885DHODH 620/4885

“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.