SCHEMBL1762768

SCHEMBL1762768

CCc1cc(CC)nc(-n2ccc3cc(-c4c(CC)cccc4CC)ncc32)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.35
C5AR1 P21730 1/20 0.32
MAPT P10636 4/20 0.32
PLK2 Q9NYY3 4/20 0.32
TGFBR1 P36897 1/20 0.31
PLK1 P53350 3/20 0.31
DGAT1 O75907 1/20 0.31
SORD Q00796 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL1762624 0.88 PTK2 (0.35) PTK2C5AR1MAPTPLK2PLK1
SCHEMBL1762783 0.85 PTK2 (0.35) PTK2MAPTPLK2
SCHEMBL1763310 0.85 MAPT (0.38) PTK2C5AR1MAPT
SCHEMBL1762789 0.85 PTK2 (0.34) PTK2MAPTPLK2
SCHEMBL1762713 0.84 DGAT1 (0.42) PTK2C5AR1MAPTDGAT1
SCHEMBL1762893 0.82 PTK2 (0.39) PTK2MAPTPLK1DGAT1
SCHEMBL1762583 0.81 PTK2 (0.53) PTK2MAPT
SCHEMBL1762891 0.81 MAPT (0.37) PTK2C5AR1MAPTDGAT1
SCHEMBL1762940 0.80 ROCK2 (0.44) PTK2
SCHEMBL1763138 0.80 ESR2 (0.39) PTK2MAPTDGAT1

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 1795/4885C5AR1 1/4885MAPT 4578/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 PTK2 1795/4885C5AR1 1/4885MAPT 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.