SCHEMBL1762998

SCHEMBL1762998

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
KDR P35968 4/20 0.37
PTK2 Q05397 2/20 0.37
LCK P06239 1/20 0.37
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
NR1H4 Q96RI1 4/20 0.34
PPARG P37231 1/20 0.34
DGAT1 O75907 2/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
FLT1 P17948 1/20 0.32
CCR9 P51686 2/20 0.32
C5AR1 P21730 1/20 0.32
TRPA1 O75762 1/20 0.32
PDGFRB P09619 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL1762622 0.92 KCNH2 (0.38) KCNH2KDRPTK2LCKKIT
SCHEMBL1762763 0.91 KCNH2 (0.38) KCNH2KDRPTK2LCKKIT
SCHEMBL1762856 0.88 PDE4B (0.36) KCNH2PTK2NR1H4PPARG
SCHEMBL1762893 0.87 PTK2 (0.39) KDRPTK2LCKKITSRC
SCHEMBL1762716 0.86 NPC1 (0.35) PTK2DGAT1MAPT
SCHEMBL1763138 0.86 ESR2 (0.39) PTK2DGAT1MAPT
SCHEMBL1762855 0.86 BRS3 (0.34) KCNH2PTK2NR1H4PPARGC5AR1
SCHEMBL1762956 0.84 ALDH1A1 (0.41) PTK2SRCPDGFRBKDM4EMEN1
SCHEMBL1762617 0.84 C5AR1 (0.38) KDRPTK2DGAT1FLT1C5AR1
SCHEMBL1762865 0.84 PTK2 (0.35) PTK2DGAT1MAPT

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 1498/4885KDR 376/4885PTK2 1795/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 KCNH2 1498/4885KDR 376/4885PTK2 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.