Sugi Predict

Sugi Predict / Compounds / SCHEMBL1762854

SCHEMBL1762854

SCHEMBL1762854

CCc1cccc(CC)c1-c1cc2c(C3CCC(C(=O)OC)CC3)cn(C3CCc4ccccc43)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 6/20 0.38
▸ AXL P30530 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ TYRO3 Q06418 2/20 0.34
▸ MERTK Q12866 2/20 0.34
▸ PDE10A Q9Y233 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TAOK1 Q7L7X3 1/20 0.33
▸ TAOK3 Q9H2K8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 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
SCHEMBL12593260 0.91 C5AR1 (0.34) C5AR1AXLFLT3TYRO3MERTK
SCHEMBL12648281 0.77 KDM4C (0.35) C5AR1PDE10A
SCHEMBL1762710 0.74 KCNA3 (0.40) C5AR1HPGD
SCHEMBL4582148 0.73 HTR1D (0.41) C5AR1PDCD1CD274
SCHEMBL1762627 0.69 C5AR1 (0.44) C5AR1MAPTHPGD
SCHEMBL1762874 0.68 C5AR1 (0.41) C5AR1MAPTHPGD
SCHEMBL10174499 0.68 ALDH1A1 (0.43) MAPTIDO1ALDH1A1HPGD
SCHEMBL1762913 0.66 MTNR1B (0.42) C5AR1
SCHEMBL1762922 0.65 C5AR1 (0.40) C5AR1
SCHEMBL1763188 0.64 TYRO3 (0.37) AXLFLT3TYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 — — US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 — — US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 — — US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 — — US disclosed
WO-2006042102-A2 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NEUROGEN CORPORATION (US) 2006-04-20 — — WO 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 (2 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 C5AR1 1/4885AXL 244/4885FLT3 629/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885AXL 244/4885FLT3 629/4885

“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.