SCHEMBL20929428

SCHEMBL20929428

c1cc(-n2c3ccccc3n3c4ccccc4cc23)cc(-n2c3nc4ccccc4n3c3ccccc3n3c4ccccc4nc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TLR7 Q9NYK1 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
LCK P06239 2/20 0.31
SRC P12931 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL21264465 0.97 MAPK1 (0.35) MAPK1HTTSMN1; SMN2TLR7ADORA3
SCHEMBL21264467 0.92 MAPK1 (0.32) MAPK1HTTSMN1; SMN2TLR7LCK
SCHEMBL21264466 0.92 MAPK1 (0.32) MAPK1HTTSMN1; SMN2TLR7LCK
SCHEMBL19486094 0.87 MAPK1 (0.44) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL18083391 0.87 MAPK1 (0.41) MAPK1HTTSMN1; SMN2ADORA3ADORA2A
SCHEMBL18083349 0.87 MAPK1 (0.43) MAPK1HTTSMN1; SMN2TLR7ADORA3
SCHEMBL21264692 0.87 MAPK1 (0.33) MAPK1HTTSMN1; SMN2ADORA1KDM4E
SCHEMBL21264644 0.86 LCK (0.31) KDM4ELCKSRCKDR
SCHEMBL12801006 0.85 MAPK1 (0.42) MAPK1HTTSMN1; SMN2ADORA3ADORA2A
SCHEMBL21264786 0.85 ALDH1A1 (0.39) MAPK1HTTSMN1; SMN2ADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968229-B2 Seven-membered ring compounds IDEMITSU KOSAN CO., LTD. (JP) 2021-04-06 US disclosed
US-20190119291-A1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2019-04-25 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-20190119291-A1 SEVEN-MEMBERED RING COMPOUNDS MCM7, XPO7, LUC7L2 MAPK1 2190/4885HTT 2050/4885SMN1; SMN2 3354/4885
US-10968229-B2 Seven-membered ring compounds MCM7, XPO7, LUC7L2 MAPK1 2190/4885HTT 2050/4885SMN1; SMN2 3354/4885

“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.