SCHEMBL3283592

SCHEMBL3283592

CC(C1CCNCC1)N(C)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.42
FLT3 P36888 7/20 0.41
ULK1 O75385 6/20 0.41
CHEK1 O14757 4/20 0.40
CDK1 P06493 1/20 0.39
PTK2 Q05397 1/20 0.39
CYP1A2 P05177 1/20 0.39
CNR2 P34972 1/20 0.39
ULK2 Q8IYT8 1/20 0.38

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
SCHEMBL6635999 0.86 JAK3 (0.54) JAK3FLT3ULK1CHEK1PTK2
SCHEMBL3286659 0.81 JAK3 (0.43) JAK3FLT3ULK1CHEK1PTK2
SCHEMBL3285060 0.78 JAK3 (0.47) JAK3FLT3CHEK1PTK2CYP1A2
SCHEMBL1916599 0.76 JAK3 (0.56) JAK3FLT3ULK1CDK1PTK2
SCHEMBL1916653 0.76 FLT3 (0.48) JAK3FLT3CHEK1CDK1PTK2
SCHEMBL1916419 0.76 JAK3 (0.53) JAK3ULK1CHEK1PTK2
SCHEMBL1918411 0.74 JAK3 (0.49) JAK3ULK1PTK2CYP1A2CNR2
SCHEMBL3284549 0.74 CHEK1 (0.43) JAK3ULK1CHEK1CDK1PTK2
SCHEMBL1917531 0.73 ULK1 (0.52) JAK3ULK1CDK1PTK2CYP1A2
SCHEMBL1917888 0.73 JAK3 (0.47) JAK3FLT3ULK1PTK2CYP1A2

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 6 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
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 JAK3 1209/4885FLT3 278/4885ULK1 1959/4885
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 JAK3 497/4885FLT3 343/4885ULK1 3079/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD JAK3 1209/4885FLT3 278/4885ULK1 1959/4885

“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.