SCHEMBL2985600

SCHEMBL2985600

COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(-c2ccnc(NCCN3CCNC3=O)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
GHSR Q92847 6/20 0.40
BRAF P15056 4/20 0.39
HPGDS O60760 1/20 0.39
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
HTR2A P28223 1/20 0.37
RAF1 P04049 3/20 0.36
MAPT P10636 1/20 0.36
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 0.91 BRAF (0.40) MEN1KMT2ATP53GHSRBRAF
SCHEMBL2980490 0.90 BRAF (0.40) MEN1KMT2AGHSRBRAFCYP11B1
SCHEMBL2980604 0.88 BRAF (0.40) MEN1KMT2ATP53GHSRBRAF
SCHEMBL5147375 0.80 BRAF (0.41) BRAFHPGDSHTR2ARAF1
SCHEMBL2982070 0.80 BRAF (0.46) KMT2ABRAFRAF1MAPTPOLB
SCHEMBL2983808 0.79 BRAF (0.47) KMT2ABRAFRAF1MAPTPOLB
SCHEMBL2983705 0.79 BRAF (0.47) KMT2ABRAFRAF1MAPTPOLB
SCHEMBL2988603 0.79 BRAF (0.47) KMT2ABRAFRAF1MAPTPOLB
SCHEMBL2975806 0.79 BRAF (0.47) KMT2ABRAFRAF1MAPTPOLB
SCHEMBL2988386 0.78 SCN9A (0.44) BRAFHPGDSRAF1

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 MEN1 3920/4885KMT2A 1112/4885TP53 98/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MEN1 3920/4885KMT2A 1112/4885TP53 98/4885

“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.