SCHEMBL4948427

SCHEMBL4948427

Cc1cc(-c2nc3cc4c(cc3[nH]2)NCC4(C)C)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
AR P10275 1/20 0.36
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
METAP1 P53582 2/20 0.33
METAP2 P50579 1/20 0.33
CBFB Q13951 1/20 0.33
GUSB P08236 1/20 0.32
PDPK1 O15530 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL9384373 0.81 AURKA (0.39) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL5314664 0.79 AURKA (0.37) AURKAAURKBARPDE4APDE4B
SCHEMBL9382130 0.78 AURKA (0.47) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL10555120 0.78 NPC1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL10554384 0.76 AR (0.42) AURKAAURKBARPDE4APDE4B
SCHEMBL2455602 0.76 PDE4A (0.57) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL4918102 0.75 METAP1 (0.49) METAP1METAP2CBFBGUSB
SCHEMBL5619649 0.75 METAP1 (0.34) AURKAAURKBARMETAP1METAP2
Hydrochloric Acid SCHEMBL10555631 0.75 NPC1 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10556856 0.75 AR (0.36) AURKAAURKBARPDE4APDE4B

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
JP-2008514565-A 2008-05-08 JP claimed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US claimed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP claimed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 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-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 AURKA 1724/4885AURKB 1606/4885AR 1883/4885

“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.