SCHEMBL10146037

SCHEMBL10146037

CNCc1cnc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.49
GGPS1 O95749 1/20 0.49
FDPS P14324 1/20 0.49
KDM4E B2RXH2 5/20 0.46
LMNA P02545 1/20 0.46
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HDAC1 Q13547 1/20 0.42
FLT3 P36888 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
TSHR P16473 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
SCHEMBL8360107 0.80 GGPS1 (0.53) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL8265490 0.78 GGPS1 (0.45) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL3173543 0.77 KDM4E (0.45) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL12801878 0.77 GGPS1 (0.50) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL31538786 0.77 GPR84 (0.57) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL5755912 0.77 GGPS1 (0.53) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL9797098 0.77 GGPS1 (0.56) GPR84GGPS1FDPSKDM4EDRD4
SCHEMBL2017760 0.77 GGPS1 (0.53) GPR84GGPS1FDPSKDM4EDRD4
SCHEMBL18265799 0.77 GGPS1 (0.53) GPR84GGPS1FDPSKDM4ELMNA
SCHEMBL2140506 0.77 NPSR1 (0.46) KDM4EALDH1A1PLAUNPSR1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022058745-A9 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-05-27 WO disclosed
WO-2022058745-A2 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-03-24 WO disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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 (3 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 GPR84 79/4885GGPS1 332/4885FDPS 954/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 GPR84 58/4885GGPS1 317/4885FDPS 944/4885
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP GPR84 3992/4885GGPS1 153/4885FDPS 209/4885

“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.