Sugi Predict

Sugi Predict / Compounds / SCHEMBL1763003

SCHEMBL1763003

SCHEMBL1763003

CCc1cccc(CC)c1-c1cc2ccn(Cc3c(C)ccc4ccccc34)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ NPBWR1 P48145 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ FLT1 P17948 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ GRM4 Q14833 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
SCHEMBL1762843 0.84 MEN1 (0.41) C5AR1CYP2C19FLT1KDRMEN1
SCHEMBL1762595 0.81 TP53 (0.41) C5AR1CYP2C19FLT1KDRMEN1
SCHEMBL1762851 0.78 HDAC3 (0.41) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL1762620 0.78 CYP11B1 (0.40) C5AR1FLT1KDRALDH1A1KMT2A
SCHEMBL12593215 0.78 C5AR1 (0.43) C5AR1FLT1KDR
SCHEMBL1762814 0.77 C5AR1 (0.38) C5AR1
SCHEMBL1762705 0.77 LMNA (0.42) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1762774 0.76 PKM (0.43) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL1762562 0.76 EPHX2 (0.43) FLT1KDRMEN1ALDH1A1KMT2A
SCHEMBL1762663 0.75 PTGER4 (0.46) CYP2C19ALDH1A1MAPTKMT2A

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 C5AR1 1/4885CYP2C19 1324/4885NPBWR1 177/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885CYP2C19 1324/4885NPBWR1 177/4885

“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.