SCHEMBL1762856

SCHEMBL1762856

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.35
NR1H4 Q96RI1 4/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
SGK1 O00141 2/20 0.31
PTK2 Q05397 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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 0.89 KCNH2 (0.38) KCNH2PTK2
SCHEMBL1762855 0.89 BRS3 (0.34) KCNH2NR1H4PPARGPTK2
SCHEMBL1762998 0.88 KCNH2 (0.43) KCNH2NR1H4PPARGPTK2
SCHEMBL1762763 0.86 KCNH2 (0.38) KCNH2PPARDPPARAPTK2
SCHEMBL1762893 0.85 PTK2 (0.39) PTK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1763138 0.84 ESR2 (0.39) PTK2
SCHEMBL1762921 0.83 LCK (0.38) PTK2MAP4K4
SCHEMBL1762716 0.82 NPC1 (0.35) PTK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1762617 0.80 C5AR1 (0.38) PTK2NR3C1
SCHEMBL1762956 0.80 ALDH1A1 (0.41) PTK2PLA2G4A

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 PDE4B 380/4885PDE4D 594/4885KCNH2 1498/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 PDE4B 380/4885PDE4D 594/4885KCNH2 1498/4885

“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.