SCHEMBL1762730

SCHEMBL1762730

CCCC(CCC)n1cc(C2CCN(C(C)=O)CC2)c2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TYRO3 Q06418 16/20 0.36
AXL P30530 9/20 0.35
FLT3 P36888 9/20 0.35
MERTK Q12866 9/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CREBBP Q92793 1/20 0.35
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
PDGFRA P16234 1/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL5812818 0.93 TYRO3 (0.38) TYRO3AXLFLT3MERTKMAP4K4
SCHEMBL1763188 0.89 TYRO3 (0.37) TYRO3AXLFLT3MERTK
SCHEMBL1762975 0.88 ALOX5AP (0.41) JAK2JAK3KDM4EALDH1A1POLB
SCHEMBL1762649 0.86 TYRO3 (0.41) IDO1JAK1JAK3TYRO3AXL
SCHEMBL1762782 0.83 PDE10A (0.33)
SCHEMBL1762703 0.77 GABRP (0.32) KDM4EALDH1A1CREBBP
SCHEMBL1762776 0.77 C5AR1 (0.31)
SCHEMBL1762598 0.76
SCHEMBL1762871 0.75 NR4A2 (0.37) KDM4EBRD4POLB
SCHEMBL1762996 0.73 NPC1 (0.38) BRD4ALDH1A1

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 IDO1 340/4885JAK2 936/4885JAK1 1143/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 IDO1 340/4885JAK2 936/4885JAK1 1143/4885

“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.