SCHEMBL1762494

SCHEMBL1762494

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC)nn3)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OXTR P30559 1/20 0.35
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
MAP4K1 Q92918 1/20 0.33
PTK2 Q05397 1/20 0.33
C5AR1 P21730 5/20 0.32
TTBK1 Q5TCY1 2/20 0.32
TTBK2 Q6IQ55 2/20 0.32
MAP3K14 Q99558 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL1762872 0.86 OXTR (0.42) MAPTOXTRMAP4K1PTK2
SCHEMBL1763310 0.85 MAPT (0.38) MAPTMAP4K1PTK2C5AR1
SCHEMBL1762962 0.81 DGAT1 (0.42) MAPTALDH1A1SRCPTK2C5AR1
SCHEMBL1762608 0.81 EIF2AK4 (0.39) MAPTKDM4EHPGDSRCBTK
SCHEMBL1762713 0.80 DGAT1 (0.42) MAPTALDH1A1HPGDPTK2C5AR1
SCHEMBL1762583 0.79 PTK2 (0.53) MAPTPTK2
SCHEMBL1762893 0.79 PTK2 (0.39) MAPTALDH1A1HPGDLYNSRC
SCHEMBL1762602 0.78 C5AR1 (0.37) MAPTPTK2C5AR1
SCHEMBL1762743 0.77 MCHR1 (0.37) MAPTKDM4EALDH1A1HPGDPTK2
SCHEMBL1762891 0.77 MAPT (0.37) MAPTHPGDPTK2C5AR1ROCK1

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 MAPT 4578/4885KDM4E 2304/4885ALDH1A1 3200/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 MAPT 4578/4885KDM4E 2304/4885ALDH1A1 3200/4885

“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.