SCHEMBL1762824

SCHEMBL1762824

CCc1cccc(CC)c1-c1cc2c(C3=CCC(C(=O)O)CC3)c[nH]c2cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.39
CCNT1 O60563 5/20 0.39
HTR1D P28221 10/20 0.38
HTR1E P28566 2/20 0.37
HTR1A P08908 1/20 0.37
DYRK1A Q13627 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL1762630 0.78 HTR1D (0.41) HTR1DHTR1EHTR1ASLC6A4
SCHEMBL1762815 0.74 GABRP (0.54) CDK9
SCHEMBL9703865 0.73 SLC6A4 (0.60) HTR1DHTR1EHTR1ASLC6A4
SCHEMBL4582148 0.70 HTR1D (0.41) HTR1DHTR1A
SCHEMBL1762668 0.66 CSNK2A1 (0.45) CDK9CCNT1HTR1DHTR1ADYRK1A
SCHEMBL24377639 0.65 CDK9 (0.44) CDK9CCNT1HTR1DHTR1EHTR1A
SCHEMBL31414538 0.64 CDK9 (0.45) CDK9CCNT1
SCHEMBL18866894 0.63 CDK9 (0.50) CDK9CCNT1
SCHEMBL21644936 0.62 CDK9 (0.41) CDK9CCNT1
SCHEMBL2522501 0.62 CDK9 (0.47) CDK9CCNT1

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 5 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
WO-2006042102-A2 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NEUROGEN CORPORATION (US) 2006-04-20 WO 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 CDK9 1772/4885CCNT1 1334/4885HTR1D 324/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 CDK9 1772/4885CCNT1 1334/4885HTR1D 324/4885

“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.