SCHEMBL2616434

SCHEMBL2616434

CC(C)(C)c1cccnc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
P2RY1 P47900 5/20 0.36
NISCH Q9Y2I1 1/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CXCR4 P61073 1/20 0.34

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
SCHEMBL16472118 1.00 NAPRT (0.41) NAPRTCA2ALDH1A1TDP1TSHR
SCHEMBL646416 0.83 NAPRT (0.42) NAPRTCA2ALDH1A1P2RY1KMT2A
SCHEMBL22023658 0.79 NAPRT (0.36) NAPRTALDH1A1TDP1KMT2ANPSR1
SCHEMBL610024 0.79 EPHX2 (0.44) NAPRTALDH1A1TDP1TSHRKMT2A
SCHEMBL31009386 0.79 EPHX2 (0.44) NAPRTALDH1A1TDP1TSHRKMT2A
SCHEMBL8778835 0.77 NAPRT (0.41) NAPRTALDH1A1TDP1TSHRKCNA5
SCHEMBL22024146 0.77 NAPRT (0.34) NAPRTALDH1A1KCNA5KCNH2KDM4E
SCHEMBL1741840 0.76 ALDH1A1 (0.44) CA2ALDH1A1TDP1TSHRP2RY1
SCHEMBL10354468 0.76 NAPRT (0.39) NAPRTALDH1A1KMT2AMEN1KCNA5
SCHEMBL25138846 0.74 CA2 (0.46) CA2ALDH1A1TDP1TSHRP2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-11738019-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2023-08-29 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-11236108-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-02-01 US disclosed
US-7456194-B2 Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
US-7335653-B2 Chemokine receptor antagonists; CCR9-mediated disorders such as inflammatory and autoimmune diseases CHEMOCENTRYX, INC. (US) 2008-02-26 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070203131-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2007-08-30 US disclosed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 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 (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-11236108-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF NAPRT 1424/4885CA2 3238/4885ALDH1A1 2352/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH NAPRT 1906/4885CA2 1238/4885ALDH1A1 1525/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS NAPRT 1444/4885CA2 3236/4885ALDH1A1 2297/4885
US-20070203131-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 NAPRT 547/4885CA2 4012/4885ALDH1A1 2054/4885
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR NAPRT 1114/4885CA2 1864/4885ALDH1A1 1904/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA NAPRT 4263/4885CA2 750/4885ALDH1A1 3878/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 NAPRT 512/4885CA2 3414/4885ALDH1A1 1258/4885
US-11738019-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 NAPRT 1296/4885CA2 3108/4885ALDH1A1 2798/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 NAPRT 547/4885CA2 4012/4885ALDH1A1 2054/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NAPRT 3101/4885CA2 2534/4885ALDH1A1 4709/4885

“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.