SCHEMBL1762852

SCHEMBL1762852

CCc1cccc(CC)c1-c1cc2ccn(-c3cccc(C)c3C)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
DGAT1 O75907 1/20 0.35
LMNA P02545 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HCAR1 Q9BXC0 1/20 0.34
PTK2 Q05397 1/20 0.34
TP53 P04637 3/20 0.34
C5AR1 P21730 3/20 0.34
MAPK1 P28482 1/20 0.33
GRIN2B Q13224 1/20 0.33
GAA P10253 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 0.89 DGAT1 (0.42) MAPTDGAT1LMNAALDH1A1HCAR1
SCHEMBL1762664 0.85 C5AR1 (0.47) MAPTDGAT1LMNAALDH1A1HCAR1
SCHEMBL1762584 0.81 C5AR1 (0.50) DGAT1PTK2C5AR1
SCHEMBL1762783 0.81 PTK2 (0.35) MAPTPTK2
SCHEMBL1762891 0.81 MAPT (0.37) MAPTDGAT1SMN1; SMN2PTK2TP53
SCHEMBL1762624 0.81 PTK2 (0.35) MAPTDGAT1ALDH1A1PTK2C5AR1
SCHEMBL1762893 0.81 PTK2 (0.39) MAPTDGAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL1762583 0.79 PTK2 (0.53) MAPTPTK2
SCHEMBL1762768 0.79 PTK2 (0.35) MAPTDGAT1PTK2C5AR1
SCHEMBL1763138 0.78 ESR2 (0.39) MAPTDGAT1PTK2

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 MAPT 4578/4885DGAT1 4526/4885LMNA 4705/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 MAPT 4578/4885DGAT1 4526/4885LMNA 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.