SCHEMBL4139913

SCHEMBL4139913

COc1ccc2ncc(=O)n(CC3OCCO3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
CYP1A2 P05177 13/20 0.49
ALDH1A1 P00352 9/20 0.49
TSHR P16473 7/20 0.49
CYP2C19 P33261 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 6/20 0.47
CYP2C9 P11712 4/20 0.47
HSD17B10 Q99714 4/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 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
SCHEMBL4153118 0.90 CYP1A2 (0.44) KCNH2CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL15850929 0.86 CYP1A2 (0.53) KCNH2CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL12090527 0.84 CYP1A2 (0.45) CYP1A2ALDH1A1TSHRCYP2C19MEN1
SCHEMBL4145936 0.82 KCNH2 (0.44) KCNH2CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL4136871 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1TSHRCYP2C19MEN1
SCHEMBL4137122 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1TSHRCYP2C19MEN1
SCHEMBL12090780 0.80 KMT2A (0.42) CYP1A2ALDH1A1TSHRCYP2C19MEN1
SCHEMBL909971 0.80 KCNH2 (0.51) KCNH2CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL909973 0.80 KCNH2 (0.51) KCNH2CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL15850845 0.80 KCNH2 (0.51) KCNH2CYP1A2ALDH1A1TSHRCYP2C19

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 12 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-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 KCNH2 248/4885CYP1A2 1852/4885ALDH1A1 3789/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KCNH2 260/4885CYP1A2 1723/4885ALDH1A1 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.