SCHEMBL449235

SCHEMBL449235

C1=C[N]c2cnccc2C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL2505673 0.83 SIGMAR1 (0.39) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL14965050 0.70 SIGMAR1 (0.52) SIGMAR1CHRNB2CHRNA4
SCHEMBL2431998 0.70
SCHEMBL31084787 0.70
SCHEMBL23470344 0.68 SIGMAR1 (0.36) SIGMAR1CHRNB2CHRNA4
SCHEMBL21308041 0.65 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL4624522 0.65
SCHEMBL11977448 0.62 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4
SCHEMBL14363747 0.61 CHRNB2 (0.38) SIGMAR1CHRNB2CHRNA4
SCHEMBL29365256 0.61 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 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-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 SIGMAR1 1604/4885CHRNB2 4719/4885CHRNA4 4705/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH SIGMAR1 330/4885CHRNB2 1571/4885CHRNA4 2080/4885

“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.