SCHEMBL4473548

SCHEMBL4473548

CN1CCC(O)(c2ccc(-c3ccnc(NC4CC5CCC(C4)N5)n3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.42
CDK4 P11802 6/20 0.41
CCND1 P24385 5/20 0.41
CCND3 P30281 3/20 0.41
CDK6 Q00534 3/20 0.41
CDK2 P24941 5/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNA2 P20248 4/20 0.40
CCNA1 P78396 3/20 0.40
RET P07949 1/20 0.40
MAPK8 P45983 2/20 0.38
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAPK9 P45984 2/20 0.37
MAPK10 P53779 1/20 0.37
CCNE1 P24864 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL13633568 1.00 IKBKB (0.42) IKBKBCDK4CCND1CCND3CDK6
SCHEMBL3478504 0.83 IKBKB (0.41) IKBKBCDK4CCND1CCND3CDK6
SCHEMBL13638287 0.79 CDK4 (0.37) IKBKBCDK4CCND1CCND3CDK6
SCHEMBL4480721 0.74 IKBKB (0.42) IKBKBCDK4CCND1CCND3CDK6
SCHEMBL13633602 0.74 IKBKB (0.42) IKBKBCDK4CCND1CCND3CDK6
SCHEMBL4498497 0.71 DGAT1 (0.47) CDK4CCND1CDK2CDK1MAPK8
SCHEMBL13633606 0.71 DGAT1 (0.47) CDK4CCND1CDK2CDK1MAPK8
SCHEMBL3472274 0.70 IKBKB (0.48) IKBKBCDK2CCNA2MAPK8KCNH2
SCHEMBL13633647 0.70 IKBKB (0.48) IKBKBCDK2CCNA2MAPK8KCNH2
SCHEMBL13633704 0.70 IKBKB (0.48) IKBKBCDK2CCNA2MAPK8KCNH2

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP claimed
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 claimed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US claimed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
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 2/4885CDK4 681/4885CCND1 1908/4885

“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.