SCHEMBL4486846

SCHEMBL4486846

CC1(C)CC(Nc2nccc(Cl)n2)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.41
IKBKB O14920 2/20 0.39
KCNH2 Q12809 2/20 0.38
TSHR P16473 1/20 0.38
JAK1 P23458 1/20 0.36
KDM1A O60341 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL4485003 0.82 ALDH1A1 (0.42) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL4491192 0.82 IKBKB (0.41) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL13638416 0.81 IKBKB (0.35) IKBKBKCNH2CDK1CDK4CCNB1
SCHEMBL3470921 0.78 IKBKB (0.51) MAPK14IKBKBKCNH2CCNA2CDK2
SCHEMBL4488019 0.78 MEN1 (0.48) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL10405253 0.78 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL10444747 0.78 KMT2A (0.40) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL29770915 0.77 IKBKB (0.50) KDM4EGAAIKBKBCDK4CDK2
SCHEMBL3471613 0.77 IKBKB (0.49) LMNAKDM4EGAAMAPK14IKBKB
SCHEMBL4487841 0.77 KCNH2 (0.40) KMT2AALDH1A1MEN1LMNAMAPT

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 disclosed
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-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
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO 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 KMT2A 1582/4885ALDH1A1 2035/4885MEN1 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.