SCHEMBL13638416

SCHEMBL13638416

C=C1CC(Nc2nccc(Cl)n2)CC(C)(C)N1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.35
CDK1 P06493 5/20 0.34
CDK4 P11802 5/20 0.34
CCNB1 P14635 5/20 0.34
CCNA2 P20248 5/20 0.34
CCND1 P24385 5/20 0.34
CDK2 P24941 5/20 0.34
CCNA1 P78396 5/20 0.34
MAPK8 P45983 4/20 0.34
MAPK9 P45984 3/20 0.34
MAPK10 P53779 3/20 0.34
KCNH2 Q12809 1/20 0.32
EIF2AK2 P19525 1/20 0.32
CCNE1 P24864 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
CTSK P43235 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL14612785 0.84 IKBKB (0.37) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL4486846 0.81 KMT2A (0.42) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638302 0.81 IKBKB (0.46) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638678 0.81 IKBKB (0.42) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL14612807 0.80 IKBKB (0.44) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638454 0.80 CDK4 (0.36) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638533 0.79 IKBKB (0.43) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638440 0.79 IKBKB (0.43) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638286 0.78 ROCK2 (0.35) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL13638420 0.78 KDM4E (0.38) CDK1CDK4CCNB1CCNA2CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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 (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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK IKBKB 2/4885CDK1 555/4885CDK4 681/4885

“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.