SCHEMBL3283701

SCHEMBL3283701

CC(=O)NCCNc1nc(Nc2ccc(S(=O)(=O)N3CC(C)NC(C)C3)cc2)ncc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.51
CHEK1 O14757 13/20 0.51
PTK2 Q05397 4/20 0.48
KIT P10721 5/20 0.47
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNT2 O60583 1/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
AURKA O14965 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
RPS6KB1 P23443 1/20 0.45
RPS6KA3 P51812 1/20 0.45

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
SCHEMBL1917071 0.86 FLT3 (0.53) FLT3CHEK1PTK2KITCDK2
SCHEMBL1917362 0.85 LRRK2 (0.53) FLT3CHEK1PTK2KIT
SCHEMBL1916766 0.85 FLT3 (0.52) FLT3CHEK1PTK2KITCDK2
SCHEMBL1917127 0.84 FLT3 (0.49) FLT3CHEK1PTK2KITCDK2
SCHEMBL1916669 0.82 CHEK1 (0.62) FLT3CHEK1PTK2KITCDK1
SCHEMBL1917758 0.80 CHEK1 (0.58) FLT3CHEK1PTK2CDK2CCNT1
SCHEMBL1917760 0.80 CHEK1 (0.58) FLT3CHEK1PTK2KITCDK2
SCHEMBL1916812 0.80 CHEK1 (0.58) FLT3CHEK1PTK2KITSTK17A
SCHEMBL1918473 0.79 PTK2 (0.63) FLT3CHEK1PTK2KITSTK17A
SCHEMBL3284779 0.79 FLT3 (0.65) FLT3CHEK1PTK2KITAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (3 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD FLT3 278/4885CHEK1 409/4885PTK2 3366/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR FLT3 343/4885CHEK1 3237/4885PTK2 1110/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD FLT3 278/4885CHEK1 409/4885PTK2 3366/4885

“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.