SCHEMBL3283787

SCHEMBL3283787

O=C1NCCN1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.48
CHEK1 O14757 13/20 0.47
FLT3 P36888 13/20 0.47
KIT P10721 4/20 0.46
STK17B O94768 2/20 0.46
BRD4 O60885 1/20 0.46
AURKA O14965 1/20 0.44
RPS6KA5 O75582 1/20 0.44
RPS6KA4 O75676 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
RPS6KA3 P51812 1/20 0.44
RPS6KA2 Q15349 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.44
RPS6KA6 Q9UK32 1/20 0.44
PTK2B Q14289 3/20 0.44
PTK2 Q05397 2/20 0.44

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
SCHEMBL1916805 0.86 CHEK1 (0.51) STK17ACHEK1FLT3KITSTK17B
SCHEMBL3154613 0.84 PTK2B (0.68) STK17AFLT3BRD4AURKARPS6KB1
SCHEMBL1916130 0.83 STK17A (0.53) STK17ACHEK1FLT3KITSTK17B
SCHEMBL1917046 0.83 CHEK1 (0.61) STK17ACHEK1FLT3STK17BBRD4
SCHEMBL3284402 0.82 STK17A (0.52) STK17ACHEK1FLT3KITSTK17B
SCHEMBL1918650 0.82 LRRK2 (0.51) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL3283870 0.81 CHEK1 (0.53) STK17ACHEK1FLT3KITSTK17B
SCHEMBL1916973 0.81 PTK2 (0.48) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL1916143 0.80 STK17A (0.56) STK17ACHEK1FLT3KITSTK17B
SCHEMBL1916214 0.80 STK17A (0.51) STK17ACHEK1FLT3KITSTK17B

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 7 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
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
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

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 STK17A 1083/4885CHEK1 409/4885FLT3 278/4885
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 STK17A 2304/4885CHEK1 3237/4885FLT3 343/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17A 1083/4885CHEK1 409/4885FLT3 278/4885

“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.