SCHEMBL1762664

SCHEMBL1762664

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(C)cc3C)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.47
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.35
ROCK1 Q13464 1/20 0.34
GAA P10253 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
COMT P21964 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
SCHEMBL1762713 0.86 DGAT1 (0.42) C5AR1TP53LMNAHCAR1PTK2
SCHEMBL1762852 0.85 MAPT (0.37) C5AR1TP53LMNAGAAHCAR1
SCHEMBL1762891 0.82 MAPT (0.37) C5AR1TP53ROCK1PTK2MAPT
SCHEMBL1762584 0.81 C5AR1 (0.50) C5AR1PTK2DGAT1KMT2A
SCHEMBL1762624 0.80 PTK2 (0.35) C5AR1PTK2ALDH1A1POLBMAPT
SCHEMBL1762893 0.80 PTK2 (0.39) LMNAROCK1GAAPTK2ALDH1A1
SCHEMBL1762595 0.79 TP53 (0.41) C5AR1TP53ALDH1A1MAPTMEN1
SCHEMBL1762783 0.78 PTK2 (0.35) PTK2MAPT
SCHEMBL1762583 0.78 PTK2 (0.53) PTK2MAPT
SCHEMBL1762768 0.78 PTK2 (0.35) C5AR1PTK2MAPTDGAT1

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 C5AR1 1/4885TP53 2571/4885LMNA 4705/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885TP53 2571/4885LMNA 4705/4885

“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.