SCHEMBL2983287

SCHEMBL2983287

O=C1NCCN1CCNc1nccc(-c2cccs2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAF1 P04049 7/20 0.43
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SCN9A Q15858 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ERN1 O75460 1/20 0.39
ABL1 P00519 1/20 0.39
FGFR1 P11362 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
SCHEMBL2979570 0.94 BRAF (0.46) BRAFALDH1A1GAANPC1RAB9A
SCHEMBL5180903 0.92 BRAF (0.43) BRAFALDH1A1GAANPC1RAB9A
SCHEMBL5180898 0.91 RAB9A (0.50) BRAFALDH1A1GAANPC1RAB9A
SCHEMBL2983932 0.83 BRAF (0.49) BRAFRAF1
SCHEMBL2988388 0.83 BRAF (0.49) BRAFRAB9AKMT2ARAF1SCN9A
SCHEMBL2983611 0.83 BRAF (0.47) BRAFRAF1SCN9AADORA2AADORA1
SCHEMBL2984342 0.83 BRAF (0.50) BRAFALDH1A1RAB9AKMT2ARAF1
SCHEMBL2973478 0.83 BRAF (0.52) BRAFALDH1A1RAB9AMEN1KMT2A
SCHEMBL2972099 0.82 BRAF (0.47) BRAFRAB9AKMT2ARAF1SCN9A
SCHEMBL2983817 0.81 KMT2A (0.45) BRAFALDH1A1RAB9AMEN1KMT2A

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 841/4885ALDH1A1 1565/4885GAA 1200/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885ALDH1A1 1565/4885GAA 1200/4885

“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.