SCHEMBL5413428

SCHEMBL5413428

C#CCOc1cc(Oc2ccc(F)cc2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ELOVL1 Q9BW60 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GSTP1 P09211 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL5405472 0.85 MEN1 (0.39) L3MBTL1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL5407437 0.85 L3MBTL1 (0.42) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5410450 0.85 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5413305 0.84 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL5409973 0.84 TRPV1 (0.43) KDM4ENPC1RAB9ACASP3SENP8
SCHEMBL5415271 0.84 MAP4K4 (0.45) L3MBTL1SMN1; SMN2MAOBMAOANPC1
SCHEMBL5415930 0.82 MEN1 (0.41) L3MBTL1ALDH1A1ELOVL1MEN1KMT2A
SCHEMBL5423439 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HTTMAOB
SCHEMBL5402357 0.80 POLB (0.46) MAOBMAOAACHEGSTP1CA12
SCHEMBL5415211 0.79 KMO (0.53) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2

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 L3MBTL1 101/4885ALDH1A1 783/4885ELOVL1 4231/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD L3MBTL1 142/4885ALDH1A1 654/4885ELOVL1 4405/4885

“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.