SCHEMBL1105475

SCHEMBL1105475

CC(=O)c1ccc2cncnc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.51
IMPDH2 P12268 1/20 0.51
NOTUM Q6P988 1/20 0.45
BAZ1A Q9NRL2 1/20 0.45
CYP2A6 P11509 1/20 0.43
PRMT3 O60678 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
CSNK2A1 P68400 1/20 0.40
FGFR1 P11362 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL30533141 0.84 EGFR (0.53) EGFRIMPDH2ALDH1A1HPGDCSNK2A1
SCHEMBL12466410 0.84 EGFR (0.53) EGFRIMPDH2ALDH1A1HPGDCSNK2A1
SCHEMBL24054680 0.83 EGFR (0.51) EGFRIMPDH2NOTUMBAZ1APRMT3
SCHEMBL2051696 0.83 EGFR (0.56) EGFRIMPDH2NOTUMBAZ1AAR
SCHEMBL28850937 0.83 EGFR (0.51) EGFRIMPDH2NOTUMBAZ1APRMT3
SCHEMBL18614408 0.82 CSNK2A1 (0.59) EGFRIMPDH2NOTUMCSNK2A1FGFR1
SCHEMBL30507829 0.82 CSNK2A1 (0.59) EGFRIMPDH2NOTUMCSNK2A1FGFR1
SCHEMBL28063529 0.80 EGFR (0.49) EGFRIMPDH2NOTUMBAZ1APRMT3
SCHEMBL6768809 0.79 EGFR (0.51) EGFRIMPDH2NOTUMBAZ1ACYP2A6
SCHEMBL31005802 0.79 NPC1 (0.53) EGFRIMPDH2NOTUMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS EGFR 2422/4885IMPDH2 829/4885NOTUM 2269/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS EGFR 2422/4885IMPDH2 829/4885NOTUM 2269/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS EGFR 2422/4885IMPDH2 829/4885NOTUM 2269/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS EGFR 2422/4885IMPDH2 829/4885NOTUM 2269/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS EGFR 2422/4885IMPDH2 829/4885NOTUM 2269/4885

“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.