SCHEMBL3476930

SCHEMBL3476930

CC1(C)CC(Nc2nccc(-c3c[nH]c4c(Cl)cc(F)cc34)n2)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
RET P07949 8/20 0.42
CDK1 P06493 6/20 0.42
CDC7 O00311 4/20 0.42
MAP4K4 O95819 4/20 0.42
PRKACA P17612 4/20 0.42
HIPK2 Q9H2X6 4/20 0.42
MKNK2 Q9HBH9 4/20 0.42
IRAK4 Q9NWZ3 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNB2 O95067 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
JAK2 O60674 3/20 0.42
INSR P06213 3/20 0.42
PIM1 P11309 3/20 0.42
FLT3 P36888 3/20 0.42
GSK3B P49841 3/20 0.42
JAK3 P52333 3/20 0.42
ITK Q08881 3/20 0.42
PIM3 Q86V86 3/20 0.42

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
SCHEMBL3477322 0.90 AR (0.44) ARRETCDK1CDC7MAP4K4
SCHEMBL4481970 0.90 AR (0.47) ARRETCDK1CDC7MAP4K4
SCHEMBL3471361 0.86 RET (0.43) ARRETCDK1CDC7MAP4K4
SCHEMBL3478219 0.85 DYRK1A (0.54) ARRETCDK1CDC7MAP4K4
SCHEMBL3476506 0.83 MAP3K14 (0.54) RETCDK1CDC7MAP4K4PRKACA
SCHEMBL3475736 0.83 MAPK8 (0.46) RETCDK1CDC7MAP4K4PRKACA
SCHEMBL3470595 0.82 RET (0.38) ARRETCDK1CDC7MAP4K4
SCHEMBL3477789 0.82 CDK2 (0.41) RETCDK1CDC7MAP4K4PRKACA
SCHEMBL3470590 0.82 RET (0.38) ARRETCDK1CDC7MAP4K4
SCHEMBL3476994 0.82 MAPK8 (0.50) RETCDK1CDC7MAP4K4PRKACA

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 12 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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO 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-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-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
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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 AR 4133/4885RET 3044/4885CDK1 555/4885

“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.