SCHEMBL3487419

SCHEMBL3487419

N=c1c(C(N)=O)cc(Cl)cn1Cc1cc(F)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.66
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58

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
Hydrochloric Acid SCHEMBL3488253 0.99 ADRA1D (0.65) ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL3487921 0.93 ADRA1D (0.59) ADRA1DADRA1AADRA1B
SCHEMBL13541137 0.91 ADRA1D (0.65) ADRA1DADRA1AADRA1B
Bromide SCHEMBL3487622 0.90 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL13542538 0.90 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL13541138 0.90 ADRA1D (0.63) ADRA1DADRA1AADRA1B
Bromide SCHEMBL3488896 0.89 ADRA1D (0.62) ADRA1DADRA1AADRA1B
SCHEMBL13542611 0.89 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL13541132 0.88 ADRA1D (0.66) ADRA1DADRA1AADRA1B
SCHEMBL13541066 0.87 ADRA1D (0.60) ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
EP-2535330-A2 Iminopyridine derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2012-12-19 EP disclosed
EP-2535330-A2 Iminopyridine derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2012-12-19 EP disclosed
US-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 EP disclosed
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 EP 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-20100016315-A1 Iminopyridine Derivative and Use Thereof ADRA1D, ADRB1, ADRB2 ADRA1D 1/4885ADRA1A 4/4885ADRA1B 6/4885

“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.