SCHEMBL2980604

SCHEMBL2980604

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)N3CCCc4ccccc43)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 3/20 0.39
RAF1 P04049 2/20 0.39
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GHSR Q92847 1/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 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
SCHEMBL2988449 0.89 BRAF (0.40) BRAFKMT2ARAF1LMNAKDM4E
SCHEMBL2980490 0.89 BRAF (0.40) BRAFKMT2ARAF1GHSRMEN1
SCHEMBL2985600 0.88 MEN1 (0.42) BRAFKMT2ARAF1TP53GHSR
SCHEMBL2981786 0.87 TSHR (0.37) TSHRKMT2ALMNAKDM4ETP53
SCHEMBL2984980 0.86 SCN9A (0.37) BRAFTSHRKMT2ARAF1LMNA
SCHEMBL2980086 0.86 BRAF (0.40) BRAFKMT2ARAF1GHSRMEN1
SCHEMBL2986689 0.85 TSHR (0.38) TSHRKMT2ALMNAGHSRMEN1
SCHEMBL2973546 0.84 TSHR (0.43) BRAFTSHRKMT2ARAF1MEN1
SCHEMBL2986552 0.84 BRAF (0.39) BRAFKMT2ARAF1GHSR
SCHEMBL2983705 0.83 BRAF (0.47) BRAFTSHRKMT2ARAF1KDM4E

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 5 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
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 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 (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 841/4885TSHR 4700/4885KMT2A 1112/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885TSHR 4700/4885KMT2A 1112/4885

“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.