Sugi Predict

Sugi Predict / Compounds / SCHEMBL4816985

SCHEMBL4816985

SCHEMBL4816985

O=[N+]([O-])c1ccc2ncc(Br)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ CYP3A4 P08684 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL360009 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL29620071 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL3354282 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL7473834 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL10762975 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL31067280 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL16289375 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL14906745 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL28811214 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4NAMPTXDHMAPT
SCHEMBL29180901 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4NAMPTXDHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039759-B2 Quinolines as FGFR kinase modulators ASTEX THERAPEUTICS LTD (GB) 2018-08-07 — — US disclosed
US-10039759-B2 Quinolines as FGFR kinase modulators ASTEX THERAPEUTICS LTD (GB) 2018-08-07 — — US disclosed
EP-2776397-B1 QUINOLINES AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2017-11-29 — — EP disclosed
EP-2776397-B1 QUINOLINES AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2017-11-29 — — EP disclosed
CN-104011025-B As the quinoline of FGFR kinase modulators 阿斯特克斯治疗有限公司 2017-04-05 — — CN disclosed
US-20170000781-A1 QUINOLINES AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2017-01-05 — — US disclosed
US-9439896-B2 Quinolines as FGFR kinase modulators ASTEX THERAPEUTICS LTD (GB) 2016-09-13 — — US disclosed
US-20140296236-A1 QUINOLINES AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-02 — — US disclosed
EP-2776397-A1 QUINOLINES AS FGFR KINASE MODULATORS Astex Therapeutics Limited (GB) 2014-09-17 — — EP disclosed
CN-104011025-A QUINOLINES AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LTD 2014-08-27 — — CN disclosed
EP-1291351-A1 6-0 substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 — — EP disclosed
EP-1291353-A1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 — — EP disclosed
EP-1291350-A1 6-0 substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 — — EP disclosed
US-6147197-A INCREASED ACID STABILITY AND ENHANCED ACTIVITY TOWARD GRAM NEGATIVE BACTERIA AND MACROLIDE RESISTANT GRAM POSITIVE BACTERIA ABBVIE INC. 2000-11-14 — — US disclosed
US-6075133-A INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY ABBOTT LABORATORIES (US) 2000-06-13 — — US disclosed
US-6028181-A 6-0-Substituted antibacterial erythromycin ketolides and methods of making ABBOTT LABORATORIES (US) 2000-02-22 — — US disclosed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 — — CN disclosed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 — — EP disclosed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 — — US disclosed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 — — 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-10039759-B2 Quinolines as FGFR kinase modulators FGFR1, FGFR3, FGFR2 ALDH1A1 1595/4885CYP3A4 1093/4885NAMPT 788/4885
US-20140296236-A1 QUINOLINES AS FGFR KINASE MODULATORS FGFR1, FGFR2, FGFR3 ALDH1A1 1527/4885CYP3A4 1200/4885NAMPT 834/4885
US-20170000781-A1 QUINOLINES AS FGFR KINASE MODULATORS FGFR1, FGFR3, FGFR2 ALDH1A1 1595/4885CYP3A4 1093/4885NAMPT 788/4885

“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.