SCHEMBL3894423

SCHEMBL3894423

COc1cc2ccncc2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
ALDH1A1 P00352 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
PDE10A Q9Y233 5/20 0.42
PDE2A O00408 4/20 0.42
PDE11A Q9HCR9 2/20 0.42
PDE5A O76074 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PDE6D O43924 2/20 0.40
PDE6A P16499 2/20 0.40
PDE6G P18545 2/20 0.40
PDE6B P35913 2/20 0.40
PDE6C P51160 2/20 0.40
PDE6H Q13956 2/20 0.40
ALPL P05186 1/20 0.40
CYP3A4 P08684 3/20 0.40
S1PR1 P21453 3/20 0.40
POLB P06746 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
SCHEMBL24165355 1.00 MAOA (0.53) MAOAALDH1A1CYP11B1CYP11B2PDE10A
SCHEMBL1271246 0.88 MAOA (0.59) MAOAALDH1A1PDE10APDGFRBPDGFRA
Hydrochloric Acid SCHEMBL9623496 0.86 MAOA (0.61) MAOAALDH1A1PDE10APDGFRBPDGFRA
SCHEMBL8292355 0.82 CLK1 (0.46) CYP11B1CYP11B2
SCHEMBL26374138 0.81 MAOA (0.38) MAOACYP11B1CYP11B2
SCHEMBL3204828 0.80 MAOA (0.51) MAOAALDH1A1CYP3A4POLB
SCHEMBL16431842 0.80 IKBKB (0.55) MAOAALDH1A1CYP11B1CYP11B2PDGFRB
SCHEMBL22929106 0.80 MAOA (0.51) MAOAALDH1A1PDE10APDGFRBPDGFRA
SCHEMBL29380244 0.80 IKBKB (0.55) MAOAALDH1A1CYP11B1CYP11B2PDGFRB
SCHEMBL6768743 0.80 MAOA (0.51) MAOAALDH1A1PDE10APDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
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 MAOA 1672/4885ALDH1A1 1257/4885CYP11B1 590/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 MAOA 1536/4885ALDH1A1 1845/4885CYP11B1 636/4885

“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.