SCHEMBL2976150

SCHEMBL2976150

COc1ccc2cc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3C(F)(F)F)sc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.33
CHRNA7 P36544 3/20 0.32
CDK1 P06493 2/20 0.32
PIK3CA P42336 1/20 0.32
CDK4 P11802 1/20 0.32
TNK2 Q07912 1/20 0.31
MEN1 O00255 4/20 0.31
USP2 O75604 4/20 0.31
ALDH1A1 P00352 4/20 0.31
CYP3A4 P08684 4/20 0.31
CASP1 P29466 4/20 0.31
CASP7 P55210 4/20 0.31
KMT2A Q03164 4/20 0.31
HIF1A Q16665 4/20 0.31
CYP1A2 P05177 3/20 0.31
HBB P68871 3/20 0.31
KDR P35968 2/20 0.31
PLK1 P53350 2/20 0.31
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL2971724 0.94 PDE3B (0.35) LIMK1CHRNA7CDK1PIK3CACDK4
SCHEMBL2988460 0.89 PDE3B (0.32) CHRNA7TNK2MEN1USP2ALDH1A1
SCHEMBL5147345 0.88 LMNA (0.37) LIMK1USP2ALDH1A1TSHR
SCHEMBL2979783 0.84 TBXAS1 (0.31)
SCHEMBL2986071 0.84 PDGFRB (0.33) KDRULK1
SCHEMBL2976425 0.83 CHEK1 (0.30)
SCHEMBL5147311 0.83 LMNA (0.37) USP2ALDH1A1KMT2A
SCHEMBL2980347 0.82 PDE3B (0.36) CHRNA7TNK2MEN1USP2ALDH1A1
SCHEMBL2983491 0.82 PDE3B (0.39) KDRTSHR
SCHEMBL2984250 0.82 POLB (0.36) MEN1ALDH1A1CYP3A4KMT2ACYP1A2

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 LIMK1 662/4885CHRNA7 4874/4885CDK1 10/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 LIMK1 662/4885CHRNA7 4874/4885CDK1 10/4885

“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.