SCHEMBL3477612

SCHEMBL3477612

Cc1cccc2c(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.50
CCNB2 O95067 3/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
CDC7 O00311 2/20 0.49
JAK2 O60674 2/20 0.49
MAP4K4 O95819 2/20 0.49
INSR P06213 2/20 0.49
CSF1R P07333 2/20 0.49
PIM1 P11309 2/20 0.49
PRKACA P17612 2/20 0.49
TYK2 P29597 2/20 0.49
FLT3 P36888 2/20 0.49
GSK3B P49841 2/20 0.49
JAK3 P52333 2/20 0.49
ITK Q08881 2/20 0.49
PIM3 Q86V86 2/20 0.49
HIPK2 Q9H2X6 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49

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
SCHEMBL4485127 0.90 RET (0.51) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3472286 0.89 GSK3B (0.54) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3478219 0.89 DYRK1A (0.54) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL4478889 0.89 RET (0.49) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL4493639 0.89 RET (0.49) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3475776 0.88 GSK3B (0.58) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13638549 0.87 RET (0.46) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL4498249 0.86 GSK3B (0.56) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL4481970 0.85 AR (0.47) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3471039 0.85 GSK3B (0.57) RETCCNB2CDK1CCNB1CCNB3

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 8 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
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-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 RET 3044/4885CCNB2 1081/4885CDK1 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.