SCHEMBL4141389

SCHEMBL4141389

O=CCn1c(=O)cnc2ccc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.36
TSHR P16473 16/20 0.36
ALDH1A1 P00352 15/20 0.36
CYP2C19 P33261 14/20 0.36
CYP3A4 P08684 13/20 0.36
CYP2C9 P11712 13/20 0.36
HSD17B10 Q99714 7/20 0.36
CASP1 P29466 6/20 0.36
CYP2D6 P10635 6/20 0.36
CASP7 P55210 5/20 0.36
HPGD P15428 4/20 0.36
LMNA P02545 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HBB P68871 1/20 0.36
USP2 O75604 6/20 0.36
CLK4 Q9HAZ1 4/20 0.36
MAPK1 P28482 3/20 0.36
BRCA1 P38398 1/20 0.36
HIF1A Q16665 2/20 0.35

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
SCHEMBL4143815 0.82 CYP1A2 (0.39) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL12090831 0.82 CYP1A2 (0.39) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL30194234 0.82 CYP1A2 (0.41) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL21428628 0.82 CYP1A2 (0.41) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL3844363 0.79 KCNH2 (0.43) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL15760084 0.77 ALDH1A1 (0.33) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL12090918 0.77 KDM4E (0.34) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL4144852 0.76 ALDH1A1 (0.40) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL4137122 0.75 CYP1A2 (0.42) CYP1A2TSHRALDH1A1CYP2C19CYP3A4
SCHEMBL3842971 0.73 CYP1A2 (0.38) CYP1A2TSHRALDH1A1CYP2C19CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (2 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CYP1A2 1852/4885TSHR 2873/4885ALDH1A1 3789/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CYP1A2 1723/4885TSHR 2758/4885ALDH1A1 3409/4885

“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.