SCHEMBL3898528

SCHEMBL3898528

COc1cc2ccncc2cc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.47
▸ SMN1; SMN2 Q16637 8/20 0.45
▸ L3MBTL1 Q9Y468 8/20 0.45
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MAOA P21397 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PTK2 Q05397 1/20 0.42
▸ TRPM8 Q7Z2W7 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ PPP1CA P62136 3/20 0.42

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
SCHEMBL16258603 0.88 PDGFRB (0.50) SMN1; SMN2L3MBTL1LMNAALDH1A1TDP1
SCHEMBL3905141 0.84 PDGFRB (0.49) —
SCHEMBL25742665 0.82 MAOA (0.42) IKBKBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL31689354 0.81 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1LMNAALDH1A1TDP1
SCHEMBL3902521 0.79 KDM1A (0.43) IKBKBSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL13537102 0.79 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNAALDH1A1TDP1
SCHEMBL28225279 0.78 PDE10A (0.52) SMN1; SMN2L3MBTL1LMNAALDH1A1TDP1
SCHEMBL1271246 0.78 MAOA (0.59) IKBKBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL27054946 0.77 CYP11B1 (0.45) IKBKBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3892970 0.77 IKBKB (0.56) IKBKBNPC1RAB9ACHUKLCK

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 4 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-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 (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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 IKBKB 95/4885SMN1; SMN2 3891/4885L3MBTL1 3960/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 IKBKB 91/4885SMN1; SMN2 3772/4885L3MBTL1 4449/4885

“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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