SCHEMBL18372245

SCHEMBL18372245

CB(O)N1CC=C(c2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 5/20 0.42
SIGMAR1 Q99720 2/20 0.40
HTR2C P28335 2/20 0.38
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
SLC6A4 P31645 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC18A3 Q16572 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
SCHEMBL13379895 0.83 ALDH1A1 (0.44) QDPRSIGMAR1GAAMEN1KMT2A
SCHEMBL18372250 0.80 NAMPT (0.33)
SCHEMBL10201924 0.77 DRD4 (0.39) QDPRGAAKDM4E
SCHEMBL14587400 0.75 DRD2 (0.41) QDPRKDM4EMEN1THRBKMT2A
SCHEMBL13406301 0.75 DRD2 (0.41) THRB
SCHEMBL16546209 0.75 QDPR (0.33) QDPR
SCHEMBL578138 0.74 QDPR (0.68) QDPRSIGMAR1SLC6A4
SCHEMBL27159736 0.73 KDM4E (0.48) QDPRSIGMAR1HTR2CSLC6A4KDM4E
SCHEMBL10201925 0.72 MAPT (0.39) QDPR
SCHEMBL4947674 0.69 ALDH1A1 (0.50) QDPRSIGMAR1MMP2MMP3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 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 (1 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 QDPR 1451/4885SIGMAR1 3994/4885HTR2C 1612/4885

“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.