SCHEMBL4461503

SCHEMBL4461503

O=C(O)c1cc2cnc3[nH]ncc3c2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNE1 P24864 5/20 0.35
CDK2 P24941 4/20 0.35
CCNE2 O96020 2/20 0.35
XDH P47989 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
BLM P54132 1/20 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
SCHEMBL4474972 0.78 SLC22A12 (0.39) GPR35SLC22A12KDM4EMEN1KMT2A
SCHEMBL31081263 0.77 CCNE1 (0.43) GPR35KDM4EMEN1KMT2AALDH1A1
SCHEMBL4592815 0.73 GPR35 (0.42) GPR35SLC22A12KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5981436 0.71 GPR35 (0.41) GPR35SLC22A12KDM4EMEN1KMT2A
SCHEMBL4462963 0.67 ALDH1A1 (0.44) KDM4EALDH1A1MAPT
SCHEMBL2112360 0.65 CCNE2 (0.46) KDM4EALDH1A1CCNE1CDK2CCNE2
SCHEMBL174532 0.64 MGAM (0.49)
SCHEMBL31081484 0.64 CCNE1 (0.42) CCNE1CDK2CDK1CCNB1CDK3
SCHEMBL25409122 0.64 ALDH1A1 (0.44) GPR35SLC22A12KDM4EMEN1KMT2A
SCHEMBL18105641 0.64 SLC22A12 (0.47) GPR35SLC22A12KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP claimed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO claimed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK GPR35 1519/4885SLC22A12 2873/4885KDM4E 2272/4885

“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.