SCHEMBL5805935

SCHEMBL5805935

O=C(NC1CCOCC1)c1ccc(-c2cc(-c3c(-c4ccccn4)nc4ccccn34)ccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.59
▸ MAPK14 Q16539 1/20 0.59
▸ KDR P35968 3/20 0.57
▸ GABRA5 P31644 3/20 0.46
▸ ATR Q13535 1/20 0.44
▸ ITGA5 P08648 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ CSNK1D P48730 2/20 0.41
▸ CSNK1E P49674 2/20 0.41
▸ TTK P33981 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ BTK Q06187 1/20 0.41

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
SCHEMBL5787523 0.91 TGFBR1 (0.69) TGFBR1MAPK14KDRGABRA5ATR
SCHEMBL5792548 0.88 TGFBR1 (0.52) TGFBR1MAPK14KDRGABRA5ATR
SCHEMBL5787865 0.80 BRD4 (0.46) TGFBR1MAPK14KDRALDH1A1GAA
SCHEMBL5789755 0.79 MAPT (0.47) TGFBR1ALDH1A1GAAMAPTMAPK1
SCHEMBL373524 0.78 TGFBR1 (0.70) TGFBR1MAPK14KDRGABRA5ATR
SCHEMBL29358505 0.78 TGFBR1 (0.70) TGFBR1MAPK14KDRGABRA5ATR
Water SCHEMBL29649721 0.77 TGFBR1 (0.69) TGFBR1MAPK14KDRGABRA5ATR
Water SCHEMBL21633982 0.77 TGFBR1 (0.69) TGFBR1MAPK14KDRGABRA5ATR
Water SCHEMBL29649719 0.77 TGFBR1 (0.69) TGFBR1MAPK14KDRGABRA5ATR
SCHEMBL5790886 0.77 USP7 (0.48) TGFBR1ALDH1A1GAAMAPTMAPK1

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
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 — — 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 (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-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 TGFBR1 4/4885MAPK14 285/4885KDR 160/4885

“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.

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