SCHEMBL2806101

SCHEMBL2806101

CCCSc1cc(C)nc2c1ccc1cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.46
CCR8 P51685 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
CCR5 P51681 3/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 2/20 0.43
PSMD14 O00487 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
AGTR1 P30556 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42

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
SCHEMBL23954176 0.83 CCR1 (0.54) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL2808990 0.83 CCR1 (0.39) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL2808095 0.82 CCR1 (0.51) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL2809964 0.80 KDM4E (0.38) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL2809962 0.80 KDM4E (0.38) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL3643416 0.79 CCR1 (0.36) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL2804982 0.78 L3MBTL1 (0.48) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL13892984 0.76 CCR1 (0.51) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL9868484 0.75 CCR1 (0.67) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL12963495 0.75 ALDH1A1 (0.58) CCR1CCR8L3MBTL1CCR5KDM4E

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
US-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2014-01-09 US disclosed
US-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2014-01-09 US disclosed
US-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2014-01-09 US disclosed
US-8592446-B2 [1,10]-phenanthroline derivatives for the treatment of neurodegenerative or haematological diseases NOSCIRA, S.A. (ES) 2013-11-26 US disclosed
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-09-23 US disclosed
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-09-23 US disclosed
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-09-23 US disclosed
EP-2170464-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-04-07 EP disclosed
WO-2008152068-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2008-12-18 WO disclosed
WO-2008152068-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2008-12-18 WO disclosed
EP-2002863-A1 [1,10]-phenanthroline derivatives for the treatment of neurodegenerative or haematological diseases NOSCIRA, S.A. (ES) 2008-12-17 EP disclosed
EP-2002863-A1 [1,10]-phenanthroline derivatives for the treatment of neurodegenerative or haematological diseases NOSCIRA, S.A. (ES) 2008-12-17 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-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES HTT, PARK7, ATXN10 CCR1 2179/4885CCR8 4099/4885L3MBTL1 2710/4885
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES HTT, ATXN10, PSEN1 CCR1 2471/4885CCR8 3823/4885L3MBTL1 3762/4885

“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.