SCHEMBL1762584

SCHEMBL1762584

CCc1cccc(CC)c1-c1cc2ccn(-c3cc(C(C)C)ccc3C)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.50
PTK2 Q05397 1/20 0.32
TEK Q02763 1/20 0.31
DGAT1 O75907 1/20 0.31
JAK2 O60674 1/20 0.31
KMT2A Q03164 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
SCHEMBL1762617 0.85 C5AR1 (0.38) C5AR1PTK2DGAT1KMT2A
SCHEMBL1762637 0.84 C5AR1 (0.37) C5AR1PTK2DGAT1JAK2
SCHEMBL1762602 0.84 C5AR1 (0.37) C5AR1PTK2
SCHEMBL12593215 0.82 C5AR1 (0.43) C5AR1
SCHEMBL1762713 0.82 DGAT1 (0.42) C5AR1PTK2DGAT1
SCHEMBL1762852 0.81 MAPT (0.37) C5AR1PTK2DGAT1
SCHEMBL1762664 0.81 C5AR1 (0.47) C5AR1PTK2DGAT1KMT2A
SCHEMBL1762624 0.77 PTK2 (0.35) C5AR1PTK2DGAT1
SCHEMBL1762891 0.77 MAPT (0.37) C5AR1PTK2DGAT1KMT2A
SCHEMBL1762662 0.77 F2R (0.40) C5AR1KMT2A

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 1/4885PTK2 1795/4885TEK 117/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885PTK2 1795/4885TEK 117/4885

“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.