SCHEMBL1762872

SCHEMBL1762872

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC)nc3)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.42
MAPT P10636 1/20 0.39
AVPR1A P37288 3/20 0.35
GRM2 Q14416 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
AVPR2 P30518 1/20 0.34
SMO Q99835 1/20 0.34
RAB9A P51151 1/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
MAP4K1 Q92918 1/20 0.33
PTK2 Q05397 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.87 EIF2AK4 (0.39) MAPTRAB9AFGFR1PTK2MEN1
SCHEMBL1762494 0.86 MAPT (0.39) OXTRMAPTMAP4K1PTK2
SCHEMBL1763310 0.84 MAPT (0.38) MAPTMAP4K1PTK2
SCHEMBL1762962 0.84 DGAT1 (0.42) MAPTRAB9AFGFR1PTK2
SCHEMBL1762893 0.83 PTK2 (0.39) MAPTRAB9AEGFRFGFR1MAP4K1
SCHEMBL1762956 0.82 ALDH1A1 (0.41) MAPTRAB9AFGFR1PTK2MEN1
SCHEMBL1762716 0.82 NPC1 (0.35) MAPTRAB9APTK2
SCHEMBL1763138 0.82 ESR2 (0.39) MAPTFGFR1PTK2
SCHEMBL1762891 0.81 MAPT (0.37) MAPTRAB9APTK2MEN1KMT2A
SCHEMBL1762763 0.80 KCNH2 (0.38) PTK2

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 OXTR 224/4885MAPT 4578/4885AVPR1A 401/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 OXTR 224/4885MAPT 4578/4885AVPR1A 401/4885

“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.