SCHEMBL1762713

SCHEMBL1762713

CCc1ccccc1-n1ccc2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
PTK2 Q05397 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 5/20 0.36
HCAR1 Q9BXC0 1/20 0.36
C5AR1 P21730 2/20 0.33
MGLL Q99685 1/20 0.33
DOT1L Q8TEK3 1/20 0.32
TP53 P04637 1/20 0.32
GRM4 Q14833 1/20 0.32
CXCR4 P61073 1/20 0.31

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
SCHEMBL1762852 0.89 MAPT (0.37) DGAT1PTK2ALDH1A1LMNAMAPT
SCHEMBL1762893 0.88 PTK2 (0.39) DGAT1PTK2ALDH1A1LMNAHPGD
SCHEMBL1762583 0.86 PTK2 (0.53) PTK2MAPT
SCHEMBL1762664 0.86 C5AR1 (0.47) DGAT1PTK2ALDH1A1LMNAMAPT
SCHEMBL1762768 0.84 PTK2 (0.35) DGAT1PTK2MAPTC5AR1
SCHEMBL1762783 0.84 PTK2 (0.35) PTK2MAPT
SCHEMBL1762891 0.84 MAPT (0.37) DGAT1PTK2HPGDMAPTC5AR1
SCHEMBL1762624 0.84 PTK2 (0.35) DGAT1PTK2ALDH1A1MAPTC5AR1
SCHEMBL1762716 0.83 NPC1 (0.35) DGAT1PTK2MAPT
SCHEMBL1762940 0.83 ROCK2 (0.44) PTK2HPGDHCAR1

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 DGAT1 4526/4885PTK2 1795/4885ALDH1A1 3200/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 DGAT1 4526/4885PTK2 1795/4885ALDH1A1 3200/4885

“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.