SCHEMBL8091840

SCHEMBL8091840

Cc1ccc(-c2ccnc(NC3CCNCC3)n2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.60
CDK1 P06493 5/20 0.55
CCNB1 P14635 5/20 0.55
CDK4 P11802 5/20 0.55
CCNA2 P20248 4/20 0.55
CCND1 P24385 4/20 0.55
CDK2 P24941 4/20 0.55
CCNA1 P78396 4/20 0.55
MAPK8 P45983 3/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
MKNK1 Q9BUB5 2/20 0.46
FLT3 P36888 1/20 0.45
GSK3B P49841 2/20 0.44
DKK1 O94907 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 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
SCHEMBL14378952 0.84 IKBKB (0.56) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL3472229 0.79 IKBKB (0.54) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL6508763 0.79 IKBKB (0.58) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL8303185 0.76 HRH3 (0.59) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL22895347 0.75 IKBKB (0.52) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL19477097 0.73 HRH3 (0.56) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL12389843 0.73 IKBKB (0.58) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL29540283 0.73 IKBKB (0.65) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL4193135 0.72 CDK2 (0.59) IKBKBCDK1CCNB1CDK4CCNA2
SCHEMBL14383122 0.72 CDK4 (0.59) IKBKBCDK1CCNB1CDK4CCNA2

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-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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 (1 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 IKBKB 552/4885CDK1 146/4885CCNB1 408/4885

“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.