SCHEMBL6335287

SCHEMBL6335287

Cc1ccn2c(-c3ccnc(-c4ccc(N5CCOCC5)cc4)c3)c(-c3cccc(C)n3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ BRD9 Q9H8M2 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.44
▸ TGFBR1 P36897 12/20 0.43
▸ KDR P35968 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPK14 Q16539 4/20 0.41
▸ AHR P35869 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ LMNA P02545 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
SCHEMBL5787031 0.90 GAA (0.48) GAAMAPTSMN1; SMN2RXFP1BRD9
SCHEMBL5791728 0.88 SMN1; SMN2 (0.49) GAAMAPTSMN1; SMN2RXFP1TGFBR1
SCHEMBL5787767 0.85 TGFBR1 (0.49) SMN1; SMN2TGFBR1KDRALDH1A1KDM4E
SCHEMBL5786049 0.84 USP7 (0.48) GAAMAPTSMN1; SMN2TGFBR1KDR
SCHEMBL5788266 0.81 TGFBR1 (0.43) GAAMAPTSMN1; SMN2TGFBR1KDR
SCHEMBL5789755 0.79 MAPT (0.47) GAAMAPTSMN1; SMN2BRD9BAZ2B
SCHEMBL5788026 0.79 HRH3 (0.49) TGFBR1
SCHEMBL5786499 0.79 BACE1 (0.40) GAAMAPTSMN1; SMN2TGFBR1KDR
SCHEMBL5789640 0.78 TGFBR1 (0.49) GAASMN1; SMN2TGFBR1KDRALDH1A1
SCHEMBL5787113 0.78 GAA (0.41) GAAMAPTSMN1; SMN2TGFBR1KDR

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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 — — US 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 (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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK GAA 1784/4885MAPT 1496/4885SMN1; SMN2 2815/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 GAA 1767/4885MAPT 1376/4885SMN1; SMN2 2595/4885

“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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