SCHEMBL2129184

SCHEMBL2129184

c1ccc(Sc2ncccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
CXCL12 P48061 1/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
MGLL Q99685 1/20 0.41
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
LMNA P02545 4/20 0.39
P4HTM Q9NXG6 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39

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
SCHEMBL10396004 0.80 CYP3A4 (0.59) HPGDL3MBTL1MAPTNOS1NOS3
SCHEMBL5888020 0.80 CXCL12 (0.40) HSD17B10CXCL12HPGDL3MBTL1HTT
SCHEMBL8363005 0.78 NPC1 (0.60) L3MBTL1HTTSMN1; SMN2MAPTNOS1
SCHEMBL10394650 0.78 L3MBTL1 (0.62) HPGDL3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL5609334 0.78 CXCL12 (0.39) HSD17B10CXCL12HPGDL3MBTL1HTT
SCHEMBL1328569 0.78 DHFR (0.47) HPGDHTTSMN1; SMN2MAPTNOS1
SCHEMBL18154713 0.78 ALOX5AP (0.43) HSD17B10CXCL12HPGDHTTSMN1; SMN2
SCHEMBL16056837 0.77 CYP2A6 (0.43) HSD17B10HPGDHTTSMN1; SMN2MAPT
SCHEMBL11047508 0.77 CXCL12 (0.42) HSD17B10CXCL12HPGDL3MBTL1HTT
SCHEMBL10978019 0.77 HPGD (0.41) HSD17B10CXCL12HPGDL3MBTL1HTT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707001-A1 Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-17 EP claimed
US-5128061-A Phenyl-pyrimidine liquid crystal materials OPTICAL SHIELDS, INC. (US) 1992-07-07 US claimed
US-4748245-A Process for making phenylthiopyrimidines STAUFFER CHEMICAL COMPANY (US) 1988-05-31 US claimed
EP-3322293-B1 ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES FMC CORP (US) 2021-05-19 EP disclosed
US-20150266836-A1 AROMATIC SULFIDE COMPOUNDS AND METHODS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-09-24 US disclosed
US-20150266836-A1 AROMATIC SULFIDE COMPOUNDS AND METHODS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-09-24 US disclosed
US-20150266836-A1 AROMATIC SULFIDE COMPOUNDS AND METHODS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-09-24 US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
EP-2444398-A2 NOVEL INTERMEDIATES OF VORICONAZOLE AND PREPARATION METHOD OF VORICONAZOLE USING THE SAME Boryung Pharmaceutical Co., Ltd (KR) 2012-04-25 EP disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 US disclosed
US-20090181980-A1 Synergistic Pharmaceutical Composition ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-4888047-A FOR ANNUAL AND PERENNIAL GRASSES AND BROADLEAF WEEDS; POSTEMERGENCE ICI AMERICAS INC. (US) 1989-12-19 US disclosed
EP-0315889-A2 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-17 EP disclosed
US-4748245-A Process for making phenylthiopyrimidines STAUFFER CHEMICAL COMPANY (US) 1988-05-31 US disclosed
US-4748245-A Process for making phenylthiopyrimidines STAUFFER CHEMICAL COMPANY (US) 1988-05-31 US disclosed
US-4748245-A Process for making phenylthiopyrimidines STAUFFER CHEMICAL COMPANY (US) 1988-05-31 US disclosed
EP-0219835-A2 Acylaminoaryloxy and arylthio pyrimidines STAUFFER CHEMICAL COMPANY (US) 1987-04-29 EP disclosed
US-4371736-A Herbicidal pyridinyloxy(pyrimidinyloxy)benzenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-01 US disclosed
EP-0061913-A2 Herbicidal heterooxybenzenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-06 EP disclosed
US-4248618-A Derivatives of (pyrimidyloxy)phenoxy-alkanecarboxylic acid and herbicidal compositions thereof ICI AUSTRALIA LIMITED (AU) 1981-02-03 US 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-20150266836-A1 AROMATIC SULFIDE COMPOUNDS AND METHODS AND USE THEREOF AHR, CBS, ARSA HSD17B10 1060/4885CXCL12 2577/4885HPGD 1241/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 HSD17B10 3210/4885CXCL12 715/4885HPGD 1898/4885

“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.