SCHEMBL3900693

SCHEMBL3900693

Cc1cc(O)c(-c2cccnc2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.51
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 3/20 0.47
CYP3A4 P08684 5/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2E1 P05181 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 2/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3895961 0.81 ALDH1A1 (0.50) KDM4ERAB9AL3MBTL1CYP1A2ALDH1A1
SCHEMBL3947748 0.77 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP3A4CYP2C19
SCHEMBL3899580 0.75 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL7963273 0.75 CYP2A6 (0.49) CYP2A6CYP11B1CYP11B2CYP3A4CYP2C19
SCHEMBL6005315 0.74 EGFR (0.51) CYP2A6CYP11B1CYP11B2CYP3A4EGFR
SCHEMBL3898349 0.73 CYP2A6 (0.42) CYP2A6KDM4ENPC1RAB9AALDH1A1
SCHEMBL3891690 0.73 KDM4E (0.47) CYP2A6KDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL6004865 0.73 L3MBTL1 (0.54) CYP2A6CYP11B1CYP11B2CYP3A4EGFR
SCHEMBL9137297 0.73 CYP2A6 (0.58) CYP2A6CYP3A4CYP2C19CYP2E1CYP2D6
SCHEMBL27846611 0.72 CYP2A6 (0.46) CYP2A6CYP11B1CYP11B2CYP3A4CYP2C19

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
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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 CYP2A6 2505/4885CYP11B1 590/4885CYP11B2 759/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 CYP2A6 2188/4885CYP11B1 636/4885CYP11B2 799/4885

“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.