SCHEMBL3894652

SCHEMBL3894652

Oc1cc2ccncc2cc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.53
CYP11B2 P19099 9/20 0.51
CYP19A1 P11511 4/20 0.51
EGFR P00533 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
IKBKB O14920 2/20 0.49
CYP3A4 P08684 3/20 0.48
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP17A1 P05093 3/20 0.47
HASPIN Q8TF76 1/20 0.45
MAPT P10636 1/20 0.44
ERN1 O75460 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
SCHEMBL1491549 0.82 CYP2A6 (0.64) CYP11B1CYP11B2CYP19A1EGFRPDGFRB
SCHEMBL1651489 0.80 DAO (0.50) CYP19A1EGFRPDGFRBPDGFRACYP3A4
SCHEMBL18703703 0.80 MAOA (0.50) CYP11B1CYP11B2CYP19A1IKBKBCYP3A4
SCHEMBL3892970 0.79 IKBKB (0.56) CYP11B1CYP11B2CYP19A1PDGFRBPDGFRA
Bromide SCHEMBL9623174 0.78 DAO (0.48) EGFRPDGFRBPDGFRACYP3A4KDM4E
Bromide SCHEMBL9623024 0.77 DAO (0.47) EGFRPDGFRBPDGFRACYP3A4KDM4E
SCHEMBL10836416 0.76 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1EGFRPDGFRB
SCHEMBL23775013 0.75 CYP2A6 (0.58) CYP11B1CYP11B2CYP19A1EGFRPDGFRB
SCHEMBL29775933 0.75 CYP2A6 (0.58) CYP11B1CYP11B2CYP19A1EGFRPDGFRB
SCHEMBL30732664 0.75 CYP2A6 (0.58) CYP11B1CYP11B2CYP19A1EGFRPDGFRB

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
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN 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 CYP11B1 590/4885CYP11B2 759/4885CYP19A1 916/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 CYP11B1 636/4885CYP11B2 799/4885CYP19A1 651/4885

“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.