SCHEMBL579164

SCHEMBL579164

Cc1cc2[nH]ccc2cc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.69
AHR P35869 7/20 0.50
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2A6 P11509 3/20 0.41
NR4A2 P43354 2/20 0.41
CMA1 P23946 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
TYR P14679 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IMPDH2 P12268 1/20 0.37

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
SCHEMBL187774 0.92 GPR84 (0.69) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL30370306 0.92 GPR84 (0.69) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL10322228 0.86 GPR84 (0.62) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL188052 0.82 GPR84 (1.00) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL827047 0.82 GPR84 (0.54) GPR84AHRCSNK2A1MEN1POLB
Tert-Butyl Formate SCHEMBL27584210 0.76 GPR84 (0.49) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL394578 0.75 GPR84 (0.69) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL849501 0.75 CSNK2A1 (0.60) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL8648526 0.75 ALOX15 (0.50) GPR84AHRCSNK2A1MEN1POLB
SCHEMBL2986160 0.75 GPR84 (0.47) GPR84AHRCSNK2A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
EP-3244886-B1 INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2021-10-27 EP disclosed
EP-3244886-B1 INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2021-10-27 EP disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
US-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-12-08 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-10398679-B2 Treatment method utilizing pyrrolidine-2, 5-dione derivatives as IDO1 inhibitors ITEOS THERAPEUTICS (BE) 2019-09-03 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US 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 (7 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GPR84 162/4885AHR 3562/4885CSNK2A1 943/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885AHR 954/4885CSNK2A1 4180/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS GPR84 1891/4885AHR 474/4885CSNK2A1 586/4885
US-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders NLRP3, NLRP1, PYCARD GPR84 628/4885AHR 170/4885CSNK2A1 3322/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 GPR84 370/4885AHR 1625/4885CSNK2A1 3946/4885
US-10398679-B2 Treatment method utilizing pyrrolidine-2, 5-dione derivatives as IDO1 inhibitors IDO1, IDO2, NAT1 GPR84 2785/4885AHR 140/4885CSNK2A1 2255/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP GPR84 162/4885AHR 3562/4885CSNK2A1 943/4885

“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.