SCHEMBL2479017

SCHEMBL2479017

COc1cc(C=O)nc2c1c(F)cc1cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC40A1 Q9NP59 6/20 0.38
CCR1 P32246 2/20 0.38
CCR8 P51685 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDE10A Q9Y233 1/20 0.37
NFKBIA P25963 1/20 0.36
RELA Q04206 1/20 0.36
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL8444087 0.88 LMNA (0.38) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL13372720 0.84 HSP90AA1 (0.43) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL3455915 0.84 HSP90AA1 (0.43) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL2475249 0.84 HSP90AA1 (0.43) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL12047118 0.82 CCR1 (0.42) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL2473268 0.81 NPC1 (0.44) NPC1RAB9ASLC40A1PDGFRBPDGFRA
SCHEMBL2471610 0.81 NFKBIA (0.40) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL2472427 0.78 KMT2A (0.41) RAB9ASLC40A1DYRK1AALDH1A1MEN1
SCHEMBL2499994 0.78 PDE10A (0.45) NPC1RAB9ASLC40A1CCR1CCR8
SCHEMBL2475243 0.77 HSP90AA1 (0.37) RAB9ASLC40A1PDGFRBPDGFRADYRK1A

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 11 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
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
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
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
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
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
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 NPC1 1567/4885RAB9A 1760/4885SLC40A1 575/4885

“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.