SCHEMBL2985245

SCHEMBL2985245

Clc1ncc(Br)c(-c2cc3ccncc3s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
CHEK1 O14757 2/20 0.38
DAPK3 O43293 2/20 0.38
PAK4 O96013 2/20 0.38
PIM1 P11309 2/20 0.38
FGFR1 P11362 2/20 0.38
PRKACA P17612 2/20 0.38
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
MAPK8 P45983 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
RPS6KA3 P51812 2/20 0.38
LIMK1 P53667 2/20 0.38
CDK5 Q00535 2/20 0.38
PRKAA1 Q13131 2/20 0.38
ROCK1 Q13464 2/20 0.38
DYRK1A Q13627 2/20 0.38
AURKB Q96GD4 2/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL5148356 0.91 CYP2A6 (0.34) CYP2A6CHEK1DAPK3PAK4PIM1
SCHEMBL2989620 0.89 CYP2A6 (0.40) CYP2A6TGFBR1BTKNQO2ADORA2A
SCHEMBL2975949 0.83 PIK3CA (0.41) FGFR1BTKNQO2ADORA2A
SCHEMBL2976312 0.76 CA2 (0.42) EGFRMAPK1
SCHEMBL2985054 0.74 PDE3B (0.46) DYRK1ACLK2CLK4DYRK1B
SCHEMBL2975858 0.72 HDAC3 (0.40) FGFR1ABL1BTKJAK2
SCHEMBL2975770 0.72 SMN1; SMN2 (0.39) BTK
SCHEMBL2984648 0.71 CYP2A6 (0.42) CYP2A6BTKRPS6KA5
SCHEMBL2975068 0.71 BTK (0.32) ABL1BTK
SCHEMBL2977525 0.71 TRPM5 (0.33) 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 4271/4885CHEK1 72/4885DAPK3 757/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CYP2A6 4271/4885CHEK1 72/4885DAPK3 757/4885

“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.