SCHEMBL13767014

SCHEMBL13767014

Cc1cc(C#N)c(Br)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 2/20 0.33
MBOAT4 Q96T53 1/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL19674775 0.82 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL12099576 0.78 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL30442040 0.77 NPSR1 (0.57) KDM4ESMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL29904870 0.77 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL14277132 0.77 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL2176229 0.77 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL2394013 0.77 NPSR1 (0.57) KDM4ESMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL14036990 0.74 TDP1 (0.46) TSHRCYP1A2TDP1
SCHEMBL31214059 0.74 KHK (0.41) KDM4ESMN1; SMN2L3MBTL1NPSR1CYP1A2
SCHEMBL25187828 0.72 MBOAT4 (0.35) KDM4ESMN1; SMN2MEN1KMT2AMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO 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 (1 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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B KDM4E 2670/4885SMN1; SMN2 2712/4885ALDH1A1 1763/4885

“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.