SCHEMBL1762893

SCHEMBL1762893

CCc1cccc(CC)c1-c1cc2ccn(-c3ccccc3)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
PLA2G4A P47712 1/20 0.37
MAPT P10636 2/20 0.36
DGAT1 O75907 1/20 0.35
LCK P06239 2/20 0.35
SRC P12931 2/20 0.35
CDC7 O00311 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DCLK1 O15075 1/20 0.35
MAPK13 O15264 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
EGFR P00533 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
SCHEMBL1763138 0.89 ESR2 (0.39) PTK2MAPTDGAT1AURKAFGFR1
SCHEMBL1762716 0.89 NPC1 (0.35) PTK2MAPTDGAT1CDC7JAK2
SCHEMBL1762940 0.89 ROCK2 (0.44) PTK2ROCK2PIM1FGFR1MAPK1
SCHEMBL1762713 0.88 DGAT1 (0.42) PTK2MAPTDGAT1LMNAGRM4
SCHEMBL1762891 0.88 MAPT (0.37) PTK2MAPTDGAT1ROCK1NPC1
SCHEMBL1762686 0.87 MCHR1 (0.45) ROCK1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1762865 0.87 PTK2 (0.35) PTK2PLA2G4AMAPTDGAT1ROCK1
SCHEMBL1762763 0.87 KCNH2 (0.38) PTK2DGAT1LCKSRCCDC7
SCHEMBL1762956 0.87 ALDH1A1 (0.41) PTK2PLA2G4AMAPTSRCFGFR1
SCHEMBL1762962 0.87 DGAT1 (0.42) PTK2MAPTDGAT1LCKSRC

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 4 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

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 PTK2 1795/4885PLA2G4A 499/4885MAPT 4578/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 PTK2 1795/4885PLA2G4A 499/4885MAPT 4578/4885

“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.