SCHEMBL2983073

SCHEMBL2983073

Fc1ccc(Nc2ncc(-c3nc(Cl)ncc3Br)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
KDR P35968 3/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TXN P10599 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
LIMK1 P53667 2/20 0.36
LIMK2 P53671 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL5147501 0.74 ABL1 (0.34) NPC1RAB9AALDH1A1MAPTABL1
SCHEMBL2987501 0.74 ABL1 (0.34) ABL1BCR
SCHEMBL6675253 0.74 MEN1 (0.62) KDRMEN1KMT2ATXNABL1
SCHEMBL4601670 0.72 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14KDR
SCHEMBL4601162 0.72 KDR (0.50) MAPK13MAPK12MAPK11MAPK14KDR
SCHEMBL2981463 0.69 JAK2 (0.33) MEN1KMT2AALDH1A1CYP1A2ROCK1
SCHEMBL2984648 0.68 CYP2A6 (0.42) MEN1KMT2AALDH1A1MAPT
SCHEMBL4602544 0.66 RAB9A (0.49) MAPK13MAPK12MAPK11MAPK14KDR
SCHEMBL27708241 0.65 ADORA2A (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6923416 0.65 CTSC (0.53) KDRMEN1KMT2ATXN

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-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN 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
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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 MAPK13 1955/4885MAPK12 1411/4885MAPK11 2036/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MAPK13 1955/4885MAPK12 1411/4885MAPK11 2036/4885

“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.