SCHEMBL2984648

SCHEMBL2984648

Clc1ncc(Br)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
BTK Q06187 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B1 P14061 4/20 0.33
HSD17B2 P37059 3/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
RPS6KA5 O75582 1/20 0.33
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3963849 0.79 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRAPTGS1PTGS2
SCHEMBL7253693 0.79 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRAPTGS1PTGS2
SCHEMBL2985180 0.75 LMNA (0.38) CYP2A6BTKMAPTKMT2AALDH1A1
SCHEMBL2965386 0.75 ADORA2A (0.50) BTKMAPTMEN1KMT2AALDH1A1
SCHEMBL2975949 0.73 PIK3CA (0.41) BTKKDM1AHSD17B1HSD17B2
SCHEMBL2976434 0.72 INPPL1 (0.48) MAPTALDH1A1L3MBTL1KDM4ETP53
SCHEMBL2986291 0.72 BTK (0.39) BTKRPS6KA5
SCHEMBL2985245 0.71 CYP2A6 (0.40) CYP2A6BTKRPS6KA5
SCHEMBL2989620 0.71 CYP2A6 (0.40) CYP2A6BTK
SCHEMBL2975858 0.71 HDAC3 (0.40) BTK

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 CYP2A6 4271/4885PDGFRB 1669/4885PDGFRA 1982/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CYP2A6 4271/4885PDGFRB 1669/4885PDGFRA 1982/4885

“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.