Sugi Predict

Sugi Predict / Compounds / SCHEMBL852655

SCHEMBL852655

SCHEMBL852655

CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ LMNA P02545 7/20 0.66
▸ KMT2A Q03164 3/20 0.64
▸ MAPT P10636 7/20 0.61
▸ THRB P10828 1/20 0.59
▸ GAA P10253 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ WDR5 P61964 1/20 0.51
▸ DPP4 P27487 1/20 0.50
▸ SLC6A5 Q9Y345 1/20 0.49

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
SCHEMBL30309487 1.00 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL13419649 0.95 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL14464189 0.88 ALDH1A1 (0.79) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL26655410 0.88 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL1127006 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL1724956 0.85 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL30672722 0.85 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL3401900 0.84 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL32688958 0.84 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL27997065 0.84 GAA (0.67) ALDH1A1LMNAKMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
EP-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 — — EP disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 — — US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 — — US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 — — US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 — — US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 — — US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 — — US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 — — US disclosed
CN-101336237-A Pyrimidinyl aryl urea derivatives being fgf inhibitors NOVARTIS AG (CH) 2008-12-31 — — CN disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 — — US disclosed
EP-1976847-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS Novartis AG (CH) 2008-10-08 — — EP disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
WO-2007071752-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2007-06-28 — — WO disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 — — CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 — — 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 (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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885KMT2A 3266/4885
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 ALDH1A1 910/4885LMNA 4188/4885KMT2A 2815/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885KMT2A 3266/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885LMNA 2990/4885KMT2A 3606/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ALDH1A1 2161/4885LMNA 2866/4885KMT2A 2068/4885

“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.