SCHEMBL1762932

SCHEMBL1762932

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.37
PIM3 Q86V86 1/20 0.37
PLA2G4A P47712 1/20 0.37
PTK2 Q05397 1/20 0.34
NPBWR1 P48145 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMT2A Q03164 1/20 0.33
C5AR1 P21730 1/20 0.33
TFPI2 P48307 1/20 0.33
MCHR1 Q99705 1/20 0.33
DGAT1 O75907 2/20 0.33
DHFR P00374 1/20 0.32
S1PR1 P21453 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
CYP1A2 P05177 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
SCHEMBL1762560 0.91 KCNH2 (0.39) PLA2G4ADGAT1
SCHEMBL1762956 0.88 ALDH1A1 (0.41) FGFR1PLA2G4APTK2KMT2A
SCHEMBL1762608 0.88 EIF2AK4 (0.39) FGFR1PTK2KMT2AC5AR1DGAT1
SCHEMBL1763015 0.86 FGFR1 (0.39) FGFR1PIM3PLA2G4ACYP11B2KMT2A
SCHEMBL1762617 0.86 C5AR1 (0.38) PTK2NPBWR1KMT2AC5AR1MCHR1
SCHEMBL1762834 0.84 DGAT1 (0.39) PLA2G4AMCHR1DGAT1
SCHEMBL1762893 0.84 PTK2 (0.39) FGFR1PLA2G4APTK2DGAT1CYP1A2
SCHEMBL1762686 0.83 MCHR1 (0.45) MCHR1
SCHEMBL1762716 0.83 NPC1 (0.35) PTK2DGAT1
SCHEMBL1763138 0.83 ESR2 (0.39) FGFR1PTK2DGAT1

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 FGFR1 1242/4885PIM3 3687/4885PLA2G4A 499/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 FGFR1 1242/4885PIM3 3687/4885PLA2G4A 499/4885

“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.