SCHEMBL5126977

SCHEMBL5126977

Clc1cc(Cl)c2ncncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
EGFR P00533 4/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FGFR4 P22455 1/20 0.33
GRM4 Q14833 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
PLAU P00749 1/20 0.32
MAPT P10636 1/20 0.32
CBFB Q13951 1/20 0.32
SCN2A Q99250 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31

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
SCHEMBL30657083 0.80 GRM4 (0.38) EGFRFGFR4GRM4CSNK2A2CSNK2B
SCHEMBL24615675 0.80 GRM4 (0.38) EGFRFGFR4GRM4CSNK2A2CSNK2B
SCHEMBL20666241 0.76 EGFR (0.30) EGFRFGFR4
SCHEMBL23847835 0.76 CSNK2A1 (0.32) EGFRFGFR4CYP3A4TSHR
SCHEMBL10765869 0.71 EGFR (0.47) ALDH1A1EGFRRAB9AHSD17B10NPC1
SCHEMBL22966311 0.69 CSNK2A2 (0.39) ALDH1A1EGFRCSNK2A2CSNK2B
SCHEMBL14660618 0.69 CDC25B (0.36) EGFR
SCHEMBL29937137 0.68 GRM4 (0.33) GRM4
SCHEMBL7832234 0.68 HTT (0.38) HTTEGFRHSD17B10HPGDFGFR4
SCHEMBL4147243 0.67 EGFR (0.60) EGFRFGFR4

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-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 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 (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-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1195/4885HTT 4484/4885EGFR 1749/4885

“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.