Sugi Predict

Sugi Predict / Compounds / SCHEMBL3477780

SCHEMBL3477780

SCHEMBL3477780

COc1ccc(-c2ccnc(OC)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ ACVR2A P27037 4/20 0.49
▸ TGFBR2 P37173 4/20 0.49
▸ DYRK1A Q13627 4/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ CTSA P10619 1/20 0.42
▸ CLK1 P49759 1/20 0.41
▸ AMY1A P0DUB6 2/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 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
SCHEMBL17808979 0.86 PDE3B (0.53) PDE3BPDE3AACVR2ATGFBR2DYRK1A
SCHEMBL15768855 0.81 ACVR2A (0.49) PDE3BPDE3AACVR2ATGFBR2DYRK1A
SCHEMBL15889608 0.80 PDE3B (0.48) PDE3BPDE3AACVR2ATGFBR2DYRK1A
SCHEMBL30042798 0.77 PDE3B (0.48) PDE3BPDE3AACVR2ATGFBR2DYRK1A
SCHEMBL27781767 0.76 CYP2C19 (0.58) ERN1AMY1A
SCHEMBL17755247 0.76 CYP2C19 (0.48) PDE3BPDE3AERN1AMY1A
SCHEMBL10340365 0.75 AMY1A (0.50) ERN1AMY1AGRM2
SCHEMBL30626327 0.75 LOX (0.55) ACVR2ATGFBR2DYRK1ATGFBR1
SCHEMBL16116782 0.75 LOX (0.55) ACVR2ATGFBR2DYRK1ATGFBR1
SCHEMBL5981063 0.75 GSTP1 (0.62) ERN1AMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 — — US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 — — EP disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 — — US disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 — — US disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 — — US disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 — — US disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 — — EP disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 — — EP disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 — — WO disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 — — 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 (5 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 PDE3B 1764/4885PDE3A 2490/4885ACVR2A 2206/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 PDE3B 1803/4885PDE3A 2546/4885ACVR2A 2208/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 PDE3B 1764/4885PDE3A 2490/4885ACVR2A 2206/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 PDE3B 1803/4885PDE3A 2546/4885ACVR2A 2208/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 PDE3B 1803/4885PDE3A 2546/4885ACVR2A 2208/4885

“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.