SCHEMBL1762891

SCHEMBL1762891

CCc1cccc(CC)c1-c1cc2ccn(-c3cc(C)cc(C)c3)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
THRB P10828 1/20 0.37
PTK2 Q05397 1/20 0.35
C5AR1 P21730 2/20 0.33
COMT P21964 1/20 0.33
DGAT1 O75907 1/20 0.32
ROCK1 Q13464 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP19A1 P11511 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 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
SCHEMBL1762893 0.88 PTK2 (0.39) MAPTPTK2DGAT1ROCK1NPC1
SCHEMBL1762716 0.84 NPC1 (0.35) MAPTTHRBPTK2DGAT1ROCK1
SCHEMBL1763138 0.84 ESR2 (0.39) MAPTPTK2DGAT1CYP19A1
SCHEMBL1762940 0.84 ROCK2 (0.44) PTK2MEN1KMT2ACYP19A1HPGD
SCHEMBL1762713 0.84 DGAT1 (0.42) MAPTPTK2C5AR1DGAT1HPGD
SCHEMBL1762624 0.83 PTK2 (0.35) MAPTPTK2C5AR1DGAT1
SCHEMBL1762962 0.82 DGAT1 (0.42) MAPTPTK2C5AR1DGAT1ROCK1
SCHEMBL1762664 0.82 C5AR1 (0.47) MAPTPTK2C5AR1COMTDGAT1
SCHEMBL1762956 0.82 ALDH1A1 (0.41) MAPTPTK2MEN1KMT2ANPC1
SCHEMBL1762763 0.82 KCNH2 (0.38) PTK2C5AR1DGAT1CYP19A1

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 4578/4885THRB 743/4885PTK2 1795/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 MAPT 4578/4885THRB 743/4885PTK2 1795/4885

“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.