SCHEMBL5787767

SCHEMBL5787767

Cc1ccn2c(-c3ccnc(-c4ccc(OCCN5CCOCC5)cc4)c3)c(-c3cccc(C)n3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.49
▸ ACHE P22303 3/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TNK2 Q07912 1/20 0.42
▸ HRH3 Q9Y5N1 4/20 0.41
▸ BCHE P06276 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40

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
SCHEMBL5788026 0.93 HRH3 (0.49) TGFBR1ACHEHRH3PRKAB2PRKAG1
SCHEMBL5791728 0.87 SMN1; SMN2 (0.49) TGFBR1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6335287 0.85 GAA (0.49) TGFBR1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5786499 0.85 BACE1 (0.40) TGFBR1SMN1; SMN2HRH3KDR
SCHEMBL5790048 0.82 TGFBR1 (0.38) TGFBR1KDR
SCHEMBL5790085 0.80 TGFBR1 (0.46) TGFBR1KDR
SCHEMBL5786049 0.79 USP7 (0.48) TGFBR1SMN1; SMN2KDR
SCHEMBL5789640 0.78 TGFBR1 (0.49) TGFBR1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5788266 0.76 TGFBR1 (0.43) TGFBR1SMN1; SMN2KDR
SCHEMBL5787031 0.76 GAA (0.48) TGFBR1RAB9AKDM4EALDH1A1SMN1; SMN2

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 4/4885ACHE 3817/4885RAB9A 3703/4885

“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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