SCHEMBL2988460

SCHEMBL2988460

COc1ccc2cc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3Br)sc2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CA2 P00918 1/20 0.32
TNK2 Q07912 1/20 0.32
IGF1R P08069 3/20 0.32
KDR P35968 3/20 0.32
PLK1 P53350 3/20 0.32
MEN1 O00255 4/20 0.32
USP2 O75604 4/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 4/20 0.32
CASP1 P29466 4/20 0.32
CASP7 P55210 4/20 0.32
KMT2A Q03164 4/20 0.32
HIF1A Q16665 4/20 0.32
CYP1A2 P05177 3/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HBB P68871 3/20 0.31

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
SCHEMBL2980347 0.93 PDE3B (0.36) PDE3BPDE3ACA2TNK2IGF1R
SCHEMBL2976150 0.89 LIMK1 (0.33) TNK2KDRPLK1MEN1USP2
SCHEMBL2975235 0.87 MERTK (0.34) CA2CYP3A4
SCHEMBL5147498 0.87 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL2975102 0.85 FGFR1 (0.32) IGF1RKDRCHRNA7
SCHEMBL2987877 0.84 PDE3B (0.31) PDE3BPDE3A
SCHEMBL2986566 0.84 CYP2A6 (0.34) IGF1RKDR
SCHEMBL2986248 0.83 ABL1 (0.31)
SCHEMBL2985014 0.83 PLK1 (0.33) IGF1RPLK1ALDH1A1
SCHEMBL2974581 0.82

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 7 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
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 PDE3B 3421/4885PDE3A 3635/4885CA2 3942/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PDE3B 3421/4885PDE3A 3635/4885CA2 3942/4885

“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.