SCHEMBL1762892

SCHEMBL1762892

CCc1cccc(CC)c1-c1cc2ccn(C3CCCCC3)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.40
CDK4 P11802 3/20 0.40
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
EED O75530 1/20 0.35
KDR P35968 2/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34
PDGFRB P09619 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
CDK7 P50613 1/20 0.34
NTRK2 Q16620 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
C5AR1 P21730 3/20 0.33
PLK1 P53350 2/20 0.33
PLK2 Q9NYY3 2/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL1762578 0.85 AURKA (0.37) AURKACDK4DRD2SLC6A4C5AR1
SCHEMBL1762581 0.82 PDE1C (0.39) JAK2ALDH1A1
SCHEMBL1762874 0.80 C5AR1 (0.41) DRD2C5AR1HPGD
SCHEMBL1762627 0.79 C5AR1 (0.44) DRD2C5AR1HPGD
SCHEMBL1763083 0.78 C5AR1 (0.36) C5AR1JAK2LMNADGAT1
SCHEMBL1762710 0.78 KCNA3 (0.40) DRD2C5AR1HPGD
SCHEMBL1762685 0.77 C5AR1 (0.35) C5AR1
SCHEMBL1762922 0.76 C5AR1 (0.40) C5AR1PLK1PLK2ADORA1
SCHEMBL1762529 0.75 MTNR1B (0.42) C5AR1
SCHEMBL1762713 0.74 DGAT1 (0.42) C5AR1LMNATP53ALDH1A1DGAT1

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 AURKA 1769/4885CDK4 733/4885DRD2 641/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 AURKA 1769/4885CDK4 733/4885DRD2 641/4885

“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.