SCHEMBL2472508

SCHEMBL2472508

COc1cc2cccnc2c2nc(C=NO)cc(SC)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
MAPT P10636 6/20 0.38
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NFKBIA P25963 1/20 0.36
RELA Q04206 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
DYRK1A Q13627 1/20 0.35
HPGD P15428 1/20 0.34
PDE10A Q9Y233 1/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL2472506 1.00 HSP90AA1 (0.41) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL13372717 1.00 HSP90AA1 (0.41) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2475243 0.93 HSP90AA1 (0.37) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2475246 0.93 HSP90AA1 (0.37) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2471610 0.85 NFKBIA (0.40) MAPTKDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL2476556 0.85 CCR1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL13372702 0.85 CCR1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2476558 0.85 CCR1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL13372720 0.82 HSP90AA1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2475249 0.82 HSP90AA1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1

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 HSP90AA1 1430/4885MAPT 12/4885KDM4E 1171/4885

“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.