SCHEMBL1126913

SCHEMBL1126913

CCn1ccc2c(F)c(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
MPO P05164 1/20 0.34
CYP19A1 P11511 2/20 0.33
F2R P25116 1/20 0.33
SLC2A1 P11166 1/20 0.33
CSNK1D P48730 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
SCHEMBL23397300 0.79 HTR2C (0.37) HTR2AHTR2CCYP19A1CSNK1D
SCHEMBL34472781 0.76 DHFR (0.44)
SCHEMBL913801 0.74 MPO (0.44) HTR2AHTR2CMPOCYP19A1CSNK1D
SCHEMBL1127777 0.72 MAPT (0.35) HTR2AHTR2CCYP19A1CSNK1D
SCHEMBL4201986 0.71 SLC2A1 (0.58) HTR2ASLC2A1
SCHEMBL10311225 0.70 HTR2C (0.63) HTR2AHTR2CMPO
SCHEMBL26632873 0.68 KLKB1 (0.41) MPOF2RSLC2A1
SCHEMBL26661995 0.68 MPO (0.34) MPOCYP19A1F2RSLC2A1
SCHEMBL25798838 0.66 CSNK1D (0.49) HTR2AHTR2CMPOCYP19A1SLC2A1
SCHEMBL20324023 0.65 CLK1 (0.45) MPOCYP19A1F2RSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HTR2A 4641/4885HTR2C 4644/4885MPO 1418/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HTR2A 4641/4885HTR2C 4644/4885MPO 1418/4885

“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.