SCHEMBL5402147

SCHEMBL5402147

CC#CCOc1cc(Cc2ccc(F)cc2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 7/20 0.42
CYP19A1 P11511 2/20 0.34
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
FYN P06241 3/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
EGFR P00533 3/20 0.30
ERBB2 P04626 2/20 0.30
KIT P10721 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL5415909 0.86 NAE1 (0.39) ALDH1A1LMNAHPGDEGFR
SCHEMBL5405126 0.86 TAAR1 (0.35) JAK2JAK3EGFRERBB2KIT
SCHEMBL5407765 0.83 ELOVL1 (0.34) ELOVL1CYP19A1HTR2C
SCHEMBL5417048 0.80
SCHEMBL5413218 0.79 PDE5A (0.32) HTR2CALDH1A1LMNAMAPTPKM
SCHEMBL5416112 0.78 CYP1A2 (0.39) ELOVL1CYP19A1ALDH1A1JAK2JAK3
SCHEMBL5415930 0.78 MEN1 (0.41) ELOVL1CYP19A1ALDH1A1LMNA
SCHEMBL6931879 0.77 TAAR1 (0.38) ELOVL1JAK2JAK3
SCHEMBL5414191 0.77 KMT2A (0.35)
SCHEMBL5416018 0.77 RXRA (0.31)

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
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ELOVL1 4231/4885CYP19A1 656/4885HTR2C 837/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ELOVL1 4405/4885CYP19A1 719/4885HTR2C 926/4885

“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.