SCHEMBL1762995

SCHEMBL1762995

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
PIK3CB P42338 1/20 0.33
C5AR1 P21730 4/20 0.31
GRM4 Q14833 1/20 0.31
PTK2 Q05397 1/20 0.30
CRHR1 P34998 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
SCHEMBL1762669 0.90 SLC2A1 (0.35) PIK3CBC5AR1GRM4
SCHEMBL1763005 0.83 MEN1 (0.37) C5AR1
SCHEMBL5795098 0.82 BRD4 (0.32) C5AR1
SCHEMBL1762713 0.78 DGAT1 (0.42) C5AR1GRM4PTK2
SCHEMBL1762893 0.77 PTK2 (0.39) GRM4PTK2
SCHEMBL1762746 0.76 TSHR (0.47)
SCHEMBL1762583 0.75 PTK2 (0.53) PTK2
SCHEMBL1762891 0.75 MAPT (0.37) C5AR1PTK2
SCHEMBL1762624 0.75 PTK2 (0.35) C5AR1PTK2
SCHEMBL1762783 0.75 PTK2 (0.35) PTK2

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 DHFR 322/4885PIK3CB 1353/4885C5AR1 1/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 DHFR 322/4885PIK3CB 1353/4885C5AR1 1/4885

“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.