SCHEMBL2978240

SCHEMBL2978240

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.46
MAPT P10636 2/20 0.46
IKBKB O14920 5/20 0.44
RAF1 P04049 3/20 0.42
MKNK1 Q9BUB5 1/20 0.41
CDK2 P24941 2/20 0.40
CCNE1 P24864 1/20 0.40
CHUK O15111 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2983705 0.93 BRAF (0.47) BRAFMAPTIKBKBRAF1CHUK
SCHEMBL2983808 0.93 BRAF (0.47) BRAFMAPTIKBKBRAF1MKNK1
SCHEMBL2988603 0.92 BRAF (0.47) BRAFMAPTIKBKBRAF1MKNK1
SCHEMBL2975806 0.92 BRAF (0.47) BRAFMAPTIKBKBRAF1MKNK1
SCHEMBL2982070 0.91 BRAF (0.46) BRAFMAPTIKBKBRAF1MKNK1
SCHEMBL2985285 0.89 BRAF (0.48) BRAFMAPTIKBKBRAF1MAPK8
SCHEMBL2984723 0.86 BRAF (0.47) BRAFIKBKBRAF1MKNK1CDK2
SCHEMBL2973546 0.85 TSHR (0.43) BRAFRAF1CYP1A2CYP2D6CYP2C9
SCHEMBL2984512 0.84 BRAF (0.46) BRAFMAPTRAF1MKNK1ALDH1A1
SCHEMBL2988508 0.84 BRAF (0.44) BRAFIKBKBRAF1ALDH1A1GAA

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-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (2 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 BRAF 841/4885MAPT 1412/4885IKBKB 1952/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885MAPT 1412/4885IKBKB 1952/4885

“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.