SCHEMBL4491192

SCHEMBL4491192

CC1(C)CC(Nc2nccc(-c3ccc(Cl)s3)n2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.41
KCNH2 Q12809 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CDK1 P06493 4/20 0.37
CCNB1 P14635 4/20 0.37
CDK4 P11802 3/20 0.37
CCNA2 P20248 3/20 0.37
CCND1 P24385 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
MAPK8 P45983 4/20 0.37
MAPK9 P45984 3/20 0.37
MAPK10 P53779 3/20 0.37
EIF2AK2 P19525 1/20 0.37
MAPK14 Q16539 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL3470921 0.86 IKBKB (0.51) IKBKBKCNH2CCNA2CDK2MAPK8
SCHEMBL4487841 0.86 KCNH2 (0.40) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL14612785 0.85 IKBKB (0.37) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL3478098 0.84 LMNA (0.41) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL3477653 0.84 KCNH2 (0.43) KCNH2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3477546 0.83 KCNH2 (0.39) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL3477879 0.83 KCNH2 (0.39) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL3471728 0.83 KCNH2 (0.39) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL16199971 0.83 KCNH2 (0.41) IKBKBKCNH2MEN1ALDH1A1MAPT
SCHEMBL4486846 0.82 KMT2A (0.42) IKBKBKCNH2MEN1ALDH1A1MAPT

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP 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-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 IKBKB 2/4885KCNH2 3073/4885MEN1 4134/4885

“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.