SCHEMBL1762622

SCHEMBL1762622

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(C(C)(C)O)cc3)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
MAP3K5 Q99683 5/20 0.34
PTK2 Q05397 2/20 0.33
DGAT1 O75907 2/20 0.33
CCR9 P51686 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAPK1 P28482 1/20 0.31
SYK P43405 1/20 0.31
LCK P06239 1/20 0.31
KIT P10721 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
CYP11B2 P19099 2/20 0.31
UGCG Q16739 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL1762998 0.92 KCNH2 (0.43) KCNH2PTK2DGAT1CCR9LCK
SCHEMBL1762763 0.90 KCNH2 (0.38) KCNH2PTK2DGAT1LCKKIT
SCHEMBL1762856 0.89 PDE4B (0.36) KCNH2PTK2
SCHEMBL1763138 0.87 ESR2 (0.39) PTK2DGAT1
SCHEMBL1762855 0.87 BRS3 (0.34) KCNH2MAP3K5PTK2
SCHEMBL1762893 0.86 PTK2 (0.39) PTK2DGAT1MAPK1SYKLCK
SCHEMBL1762716 0.85 NPC1 (0.35) PTK2DGAT1
SCHEMBL1762921 0.84 LCK (0.38) PTK2DGAT1LCKKITSRC
SCHEMBL1762956 0.83 ALDH1A1 (0.41) PTK2MAPK1SRC
SCHEMBL1762617 0.83 C5AR1 (0.38) PTK2DGAT1KDR

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 KCNH2 1498/4885MAP3K5 1329/4885PTK2 1795/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 KCNH2 1498/4885MAP3K5 1329/4885PTK2 1795/4885

“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.