SCHEMBL28239

SCHEMBL28239

Nc1ncc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
MAP4K4 O95819 4/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.45
S100B P04271 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MAPK14 Q16539 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL27804 0.86 CHRNA7 (0.47) CHRNA7MAP4K4POLB
SCHEMBL3201331 0.84 NPC1 (0.50) CHRNA7MAP4K4ALDH1A1MAPK14
SCHEMBL5989159 0.82 CYP2C8 (0.49) MAPTGAAALOX15S100BALDH1A1
SCHEMBL3195985 0.81 S100B (0.46) MAPTGAAALOX15POLBS100B
SCHEMBL1516765 0.81 MAPT (0.61) MAPTGAAALOX15POLBALDH1A1
SCHEMBL8178870 0.80 KMT2A (0.46) MAPTPOLBALDH1A1HSP90AA1HTT
SCHEMBL1319218 0.79 CYP3A4 (0.50) MAPTMAP4K4ALDH1A1GABRPGABRD
SCHEMBL3409147 0.79 CHRNA7 (0.53) CHRNA7MAP4K4ALDH1A1HTTNPSR1
SCHEMBL915037 0.78 CYP3A4 (0.48) MAPTMAP4K4ALDH1A1GABRPGABRD
Hydrochloric Acid SCHEMBL11549048 0.78 CYP3A4 (0.48) MAPTMAP4K4ALDH1A1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-23 US claimed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US claimed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US claimed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US claimed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP claimed
JP-2005526857-A 2005-09-08 JP claimed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP claimed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
EP-2968360-B1 QUINOLINONE DERIVATIVES FOR THE INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2021-01-20 EP disclosed
US-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2020-07-21 US disclosed
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2019-11-14 US disclosed
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2019-04-23 US disclosed
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2018-05-17 US disclosed
US-9695179-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2017-07-04 US disclosed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP disclosed
US-20050049274-A1 Quinolinone derivatives as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
WO-2005009967-A2 QUINOLINONE DERIVATIVES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 WO disclosed
US-20040038976-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-02-26 US disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 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 (10 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-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT CHRNA7 2628/4885MAPT 671/4885GAA 2182/4885
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT CHRNA7 2628/4885MAPT 671/4885GAA 2182/4885
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT CHRNA7 2628/4885MAPT 671/4885GAA 2182/4885
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CHRNA7 833/4885MAPT 2968/4885GAA 3049/4885
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT CHRNA7 2628/4885MAPT 671/4885GAA 2182/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CHRNA7 833/4885MAPT 2968/4885GAA 3049/4885
US-20050049274-A1 Quinolinone derivatives as inhibitors of c-fms kinase FLT3, ABL1, FES CHRNA7 2366/4885MAPT 472/4885GAA 4452/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CHRNA7 833/4885MAPT 2968/4885GAA 3049/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CHRNA7 833/4885MAPT 2968/4885GAA 3049/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CHRNA7 833/4885MAPT 2968/4885GAA 3049/4885

“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.