SCHEMBL1762956

SCHEMBL1762956

CCOc1ccc(-n2ccc3cc(-c4c(CC)cccc4CC)ncc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
PLA2G4A P47712 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
PTK2 Q05397 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL1762608 0.91 EIF2AK4 (0.39) TP53NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL1762686 0.88 MCHR1 (0.45) NPC1RAB9ASMN1; SMN2PKM
SCHEMBL1762932 0.88 FGFR1 (0.37) PLA2G4AFGFR1KMT2APTK2
SCHEMBL1762754 0.87 MCHR1 (0.46) ALDH1A1FGFR1SRCKDM4E
SCHEMBL1762560 0.87 KCNH2 (0.39) PLA2G4AMAPT
SCHEMBL1762834 0.87 DGAT1 (0.39) PLA2G4AMAPT
SCHEMBL1762893 0.87 PTK2 (0.39) ALDH1A1LMNAPLA2G4ANPC1RAB9A
SCHEMBL1763138 0.86 ESR2 (0.39) FGFR1MAPTPTK2
SCHEMBL1762716 0.86 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MAPTPTK2
SCHEMBL1763129 0.85 CYP19A1 (0.48) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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 ALDH1A1 3200/4885LMNA 4705/4885TP53 2571/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 ALDH1A1 3200/4885LMNA 4705/4885TP53 2571/4885

“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.