SCHEMBL5415909

SCHEMBL5415909

CC#CCOc1cc(Cc2ccccc2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 1/20 0.39
UBA3 Q8TBC4 1/20 0.39
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PDE2A O00408 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP2K7 O14733 1/20 0.32
EGFR P00533 2/20 0.32
HCAR2 Q8TDS4 1/20 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
SCHEMBL5402147 0.86 ELOVL1 (0.42) ALDH1A1LMNAHPGDEGFR
SCHEMBL5405126 0.85 TAAR1 (0.35) EGFR
SCHEMBL5417036 0.82 KDR (0.33) ALDH1A1HPGDHTT
SCHEMBL5413218 0.81 PDE5A (0.32) ALDH1A1LMNATSHR
SCHEMBL5405596 0.81 IDO1 (0.33) ALDH1A1EGFR
SCHEMBL3694486 0.81 HTR2C (0.34) HTR2BALDH1A1LMNATSHRMAPK1
SCHEMBL5417048 0.80
SCHEMBL3912788 0.79 LMNA (0.44) NAE1UBA3HTR2BALDH1A1LMNA
SCHEMBL5402129 0.78 CSF1R (0.36) LMNATSHRMAPK1TDP1MAP2K7
SCHEMBL5410704 0.78 CHRM3 (0.37) HCAR2

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 NAE1 2639/4885UBA3 2536/4885HTR2B 921/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD NAE1 2695/4885UBA3 2128/4885HTR2B 1219/4885

“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.