SCHEMBL2476558

SCHEMBL2476558

CSc1cc(C=NO)nc2c1c(C)cc1cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
CCR8 P51685 5/20 0.43
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
HSP90AA1 P07900 2/20 0.36
CCR5 P51681 3/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
RIPK1 Q13546 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 3/20 0.32
TP53 P04637 2/20 0.32
HTT P42858 2/20 0.32
NFKB1 P19838 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GMNN O75496 1/20 0.32
MMP2 P08253 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
SCHEMBL13372702 1.00 CCR1 (0.43) CCR1CCR8GAAMAPK1HSP90AA1
SCHEMBL2476556 1.00 CCR1 (0.43) CCR1CCR8GAAMAPK1HSP90AA1
SCHEMBL2472506 0.85 HSP90AA1 (0.41) GAAMAPK1HSP90AA1KDM4EL3MBTL1
SCHEMBL2472508 0.85 HSP90AA1 (0.41) GAAMAPK1HSP90AA1KDM4EL3MBTL1
SCHEMBL13372717 0.85 HSP90AA1 (0.41) GAAMAPK1HSP90AA1KDM4EL3MBTL1
SCHEMBL2469862 0.84 CCR1 (0.49) CCR1CCR8GAAMAPK1HSP90AA1
SCHEMBL2475868 0.83 CCR1 (0.36) CCR1CCR8GAAMAPK1HSP90AA1
SCHEMBL2475865 0.83 CCR1 (0.36) CCR1CCR8GAAMAPK1HSP90AA1
SCHEMBL2805553 0.81 KDM4E (0.42) CCR1CCR8GAAMAPK1HSP90AA1
SCHEMBL2805551 0.81 KDM4E (0.42) CCR1CCR8GAAMAPK1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373650-B1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA SA (ES) 2012-10-24 EP claimed
US-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 US claimed
EP-2196466-A1 Triple substituted phenanthroline derivatives for the treatment of neurodegenerative or heamatological diseases or conditions NOSCIRA, S.A. (ES) 2010-06-16 EP claimed
EP-2373650-B1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA SA (ES) 2012-10-24 EP disclosed
US-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 US disclosed
EP-2373650-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER Noscira, S.A. (ES) 2011-10-12 EP disclosed
WO-2010066832-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2010-06-17 WO disclosed
EP-2196466-A1 Triple substituted phenanthroline derivatives for the treatment of neurodegenerative or heamatological diseases or conditions NOSCIRA, S.A. (ES) 2010-06-16 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 (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-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER HTT, PFN1, PSEN1 CCR1 3349/4885CCR8 3644/4885GAA 815/4885

“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.