SCHEMBL4487841

SCHEMBL4487841

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
CDK1 P06493 8/20 0.37
CCNB1 P14635 8/20 0.37
CDK4 P11802 7/20 0.37
CCNA2 P20248 6/20 0.37
CCND1 P24385 6/20 0.37
CDK2 P24941 6/20 0.37
CCNA1 P78396 6/20 0.37
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
IKBKB O14920 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 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
SCHEMBL4491192 0.86 IKBKB (0.41) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL13638454 0.85 CDK4 (0.36) CDK1CCNB1CDK4CCNA2CCND1
SCHEMBL3477653 0.84 KCNH2 (0.43) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL3478098 0.84 LMNA (0.41) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL3471728 0.83 KCNH2 (0.39) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL16199971 0.83 KCNH2 (0.41) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL3477546 0.83 KCNH2 (0.39) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL3477879 0.83 KCNH2 (0.39) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL3471600 0.82 CDK4 (0.43) KCNH2CDK1CCNB1CDK4CCNA2
SCHEMBL4489828 0.82 CDK1 (0.41) KCNH2CDK1CCNB1CDK4CCNA2

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 9 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
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 KCNH2 3073/4885CDK1 555/4885CCNB1 1227/4885

“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.