Sugi Predict

Sugi Predict / Compounds / SCHEMBL1722753

SCHEMBL1722753

SCHEMBL1722753

O=c1cc(-c2ccc(C(F)(F)F)cc2)cn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.46
▸ METAP2 P50579 2/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ PIK3CA P42336 1/20 0.44
▸ TDP2 O95551 1/20 0.44
▸ HTR3A P46098 1/20 0.42
▸ COMT P21964 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PIP4K2B P78356 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 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
SCHEMBL4716834 0.83 NOTUM (0.45) KIF11NOTUMHTR3ACA12CA9
SCHEMBL10536966 0.82 IDO1 (0.51) NOTUM
SCHEMBL4718970 0.81 FEN1 (0.46) KIF11METAP2PIK3CA
SCHEMBL1691424 0.80 HTR3A (0.45) METAP2NOTUMPIK3CAHTR3AHRH3
SCHEMBL2652153 0.78 PDE3B (0.44) PIK3CA
SCHEMBL1691426 0.77 METAP2 (0.44) METAP2NOTUMCYP1A2HSD17B10
SCHEMBL10537216 0.77 AOC3 (0.50) NOTUMPIK3CATDP2HTR3AHRH3
SCHEMBL5770101 0.77 MEN1 (0.46) METAP2NOTUMHTR3AHRH3KCNH2
SCHEMBL27844309 0.77 FGFR1 (0.51) HTR3AHRH3KCNH2
SCHEMBL497670 0.76 GSK3B (0.52) NOTUMHTR3AMKNK2HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 — — US disclosed
EP-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 — — EP disclosed
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-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — WO disclosed
EP-3101015-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA Pharma Co., Ltd. (JP) 2016-12-07 — — 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
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 — — US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 — — EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 — — US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 — — EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 — — 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 KIF11 4610/4885METAP2 1353/4885NOTUM 899/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KIF11 2009/4885METAP2 4745/4885NOTUM 4408/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 KIF11 4227/4885METAP2 1079/4885NOTUM 2329/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KIF11 2216/4885METAP2 4774/4885NOTUM 4391/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 KIF11 4511/4885METAP2 2243/4885NOTUM 4663/4885

“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.