SCHEMBL603696

SCHEMBL603696

Cc1nc(Cl)cc(OCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
PDE2A O00408 1/20 0.46
GRM5 P41594 5/20 0.45
PKM P14618 1/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MCL1 Q07820 1/20 0.43
BAK1 Q16611 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGER1 P34995 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
TSHR P16473 1/20 0.42
PRMT5 O14744 1/20 0.41

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
SCHEMBL1187851 0.83 PDE2A (0.67) PDE2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8384805 0.82 PIN1 (0.47) NUDT1GRM5PKMALDH1A1PTGES
SCHEMBL3930094 0.81 NUDT1 (0.62) NUDT1GRM5SMN1; SMN2ALDH1A1MAPK1
SCHEMBL8558770 0.80 ALOX5 (0.48) NUDT1GRM5PKMHTTSMN1; SMN2
SCHEMBL8558749 0.79 NUDT1 (0.44) NUDT1GRM5PKMSTAT3HTT
SCHEMBL14744985 0.79 ALOX5 (0.50) NUDT1GRM5SMN1; SMN2L3MBTL1ALOX5
SCHEMBL31287796 0.79 ALOX5 (0.50) NUDT1GRM5SMN1; SMN2L3MBTL1ALOX5
SCHEMBL31287990 0.78 MAOB (0.51) NUDT1PDE2AGRM5HTTALDH1A1
SCHEMBL8773184 0.78 MAOB (0.51) NUDT1PDE2AGRM5HTTALDH1A1
SCHEMBL31492985 0.78 NUDT1 (0.43) NUDT1GRM5PKMSTAT3HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090480-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2022167445-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2022-08-11 WO disclosed
EP-3781565-A1 2-METHYL-AZA-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2021-02-24 EP disclosed
WO-2019201848-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-24 WO disclosed
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 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 (1 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS NUDT1 28/4885PDE2A 967/4885GRM5 2017/4885

“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.