SCHEMBL3894243

SCHEMBL3894243

Cc1cc(O)c(-c2nc(C)c(C)s2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTT P42858 1/20 0.34
NOS1 P29475 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTR2B P41595 1/20 0.31
AOC3 Q16853 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
SCHEMBL27635292 0.78 HTR2B (0.46) ADORA2AADORA1MEN1NPC1RAB9A
SCHEMBL27635289 0.76 ESR1 (0.37) ADORA2AADORA1MAPTAOC3
SCHEMBL10022977 0.70 NOS1 (0.52) ADORA2AADORA1NOS1NPC1RAB9A
SCHEMBL3894660 0.68 CYP19A1 (0.35) ADORA2AHTTNPC1KDM4EMAPT
SCHEMBL3895961 0.68 ALDH1A1 (0.50) ADORA2AADORA1MEN1RAB9AKMT2A
SCHEMBL3896818 0.68 KMT2A (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4059614 0.67 NOS1 (0.37) ADORA2AADORA1NOS1RAB9AKMT2A
SCHEMBL15423021 0.67 HTR2B (0.64) MEN1NPC1RAB9AKMT2ARXFP1
SCHEMBL3894293 0.67 KDM4E (0.40) NOS1KMT2AKDM4EMAPT
SCHEMBL16231621 0.66 KDM4E (0.40) HTTNOS1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 ADORA2A 2114/4885ADORA1 1311/4885HTT 4107/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 ADORA2A 2238/4885ADORA1 1340/4885HTT 3446/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 ADORA2A 1439/4885ADORA1 293/4885HTT 4346/4885

“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.