SCHEMBL3801070

SCHEMBL3801070

Nc1ccccc1O[C@@H]1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PDE4D Q08499 12/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
GRM4 Q14833 2/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR2 O15552 2/20 0.38

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
SCHEMBL3795839 1.00 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL3799931 1.00 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL3798831 0.89 KAT2B (0.53) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL24498375 0.85 ALDH1A1 (0.43) KAT2BBAZ2BALDH1A1ADRA2BPTGS1
SCHEMBL31122720 0.81 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNTRK1
SCHEMBL2406263 0.81 NTRK1 (0.42) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL2406266 0.81 NTRK1 (0.42) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL2409363 0.81 NTRK1 (0.42) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL618317 0.81 MAPK8 (0.45) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL19766689 0.80 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 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 (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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK KAT2B 2283/4885BAZ2B 2679/4885PDE4D 1587/4885

“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.