SCHEMBL1763083

SCHEMBL1763083

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(C4CCCCC4)cc3)c2cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 0.36
TRPA1 O75762 1/20 0.36
DHODH Q02127 1/20 0.36
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PTK2 Q05397 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 3/20 0.33
BRD4 O60885 3/20 0.33
DGAT1 O75907 2/20 0.33
JAK1 P23458 1/20 0.32
BRD2 P25440 1/20 0.32
JAK3 P52333 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 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
SCHEMBL1762893 0.82 PTK2 (0.39) DHODHMAPTMAPK1PTK2LMNA
SCHEMBL1762716 0.82 NPC1 (0.35) MAPTPTK2SMN1; SMN2JAK2DGAT1
SCHEMBL1763138 0.82 ESR2 (0.39) MAPTPTK2DGAT1
SCHEMBL1762617 0.80 C5AR1 (0.38) C5AR1TRPA1MAPTPTK2DGAT1
SCHEMBL1762608 0.80 EIF2AK4 (0.39) C5AR1MAPTPTK2SMN1; SMN2JAK2
SCHEMBL1762763 0.80 KCNH2 (0.38) C5AR1TRPA1PTK2DGAT1
SCHEMBL1762865 0.80 PTK2 (0.35) MAPTPTK2SMN1; SMN2DGAT1
SCHEMBL1762998 0.80 KCNH2 (0.43) C5AR1TRPA1MAPTPTK2LMNA
SCHEMBL1762956 0.80 ALDH1A1 (0.41) MAPTMAPK1PTK2LMNASMN1; SMN2
SCHEMBL1762921 0.79 LCK (0.38) MAPTTSHRPTK2LMNASMN1; SMN2

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 1/4885TRPA1 315/4885DHODH 954/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885TRPA1 315/4885DHODH 954/4885

“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.