Sugi Predict

Sugi Predict / Compounds / SCHEMBL977907

SCHEMBL977907

SCHEMBL977907

COc1ccc2cc(-c3cccc(N)c3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.61
▸ CYP3A4 P08684 4/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HSD17B1 P14061 1/20 0.59
▸ HSD17B2 P37059 1/20 0.59
▸ CYP11B2 P19099 6/20 0.57
▸ CYP11B1 P15538 5/20 0.57
▸ CYP17A1 P05093 2/20 0.57
▸ CYP19A1 P11511 2/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MTNR1A P48039 1/20 0.52
▸ MTNR1B P49286 1/20 0.52

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
SCHEMBL977970 0.87 ABL1 (0.63) PLAUCYP3A4ALDH1A1MEN1NPC1
SCHEMBL30979867 0.87 ABL1 (0.63) PLAUCYP3A4ALDH1A1MEN1NPC1
SCHEMBL29441703 0.85 CYP3A4 (0.76) PLAUCYP3A4ALDH1A1MEN1NPC1
SCHEMBL2123715 0.85 HSD17B1 (0.74) PLAUCYP3A4HSD17B1HSD17B2CYP11B2
SCHEMBL3091866 0.85 CYP3A4 (0.76) PLAUCYP3A4ALDH1A1MEN1NPC1
SCHEMBL12051687 0.82 HSD17B1 (0.83) CYP3A4HSD17B1HSD17B2CYP11B2CYP11B1
SCHEMBL11723032 0.82 HSD17B1 (0.83) CYP3A4HSD17B1HSD17B2CYP11B2CYP11B1
SCHEMBL10556996 0.82 PDGFRB (0.62) PLAUCYP3A4ALDH1A1CYP11B2CYP11B1
SCHEMBL23747205 0.81 CYP11B2 (0.78) PLAUCYP3A4HSD17B1HSD17B2CYP11B2
SCHEMBL5981441 0.81 HSD17B1 (0.69) PLAUCYP3A4HSD17B1HSD17B2CYP11B2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 — — US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 — — US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 — — US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 — — US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 — — US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 — — EP disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 — — US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 — — US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 — — US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 — — EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 — — US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 — — US disclosed
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 — — EP disclosed
CN-1066732-C Pyrido (2,3-b) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-06 — — CN disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 — — US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 — — EP disclosed
CN-1205702-A Pyrido (2,3-b) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-20 — — CN disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 — — EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 — — WO disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 — — WO 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 (3 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 PLAU 2330/4885CYP3A4 370/4885ALDH1A1 52/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 PLAU 158/4885CYP3A4 1573/4885ALDH1A1 2806/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 PLAU 4310/4885CYP3A4 237/4885ALDH1A1 339/4885

“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.