SCHEMBL12027643

SCHEMBL12027643

Cc1cc2c(=O)cc(/C=N/O)[nH]c2c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTT P42858 1/20 0.37
SLC40A1 Q9NP59 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
PARP1 P09874 3/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 2/20 0.33
HSP90AA1 P07900 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
COMT P21964 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
SCHEMBL12027712 0.86 CCR1 (0.44) CCR1CCR8PSMD14COPS5SLC6A2
SCHEMBL2475201 0.85 SLC40A1 (0.38) HTTSLC40A1GAAMAPK1KDM4E
SCHEMBL2475206 0.85 SLC40A1 (0.38) HTTSLC40A1GAAMAPK1KDM4E
SCHEMBL12027711 0.77 CCR1 (0.42) CCR1CCR8PSMD14COPS5SLC6A2
SCHEMBL12027694 0.74 GLA (0.54) CCR1CCR8GAAKDM4EMAPT
SCHEMBL2472983 0.72 SLC40A1 (0.41) SLC40A1GAA
SCHEMBL12047086 0.65 SLC40A1 (0.43) HTTSLC40A1GAAKDM4EHPGD
SCHEMBL12027704 0.64 CCR1 (0.46) CCR1CCR8PSMD14COPS5SLC6A2
SCHEMBL13474781 0.64 CCR1 (0.46) CCR1CCR8PSMD14COPS5KDM4E
SCHEMBL9878322 0.63 TDP1 (0.54) CCR1CCR8PSMD14COPS5SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3644/4885PSMD14 1664/4885

“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.