SCHEMBL4144905

SCHEMBL4144905

Cc1c(-c2ncco2)n(CC(F)(F)C(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.52
NTRK1 P04629 2/20 0.33
NTRK3 Q16288 2/20 0.33
ADORA1 P30542 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
P2RX7 Q99572 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL4138611 0.93 AR (0.62) ARNTRK1NTRK3ADORA1TLR7
SCHEMBL4136840 0.84 AR (0.55) ARADORA1
SCHEMBL4139310 0.83 AR (0.54) AR
SCHEMBL4147069 0.83 AR (0.56) AR
SCHEMBL4138552 0.82 AR (0.52) ARTLR7P2RX7
SCHEMBL4138699 0.82 AR (0.59) AR
SCHEMBL4130772 0.81 AR (0.53) AR
SCHEMBL4140343 0.80 AR (0.55) AR
SCHEMBL4136819 0.80 AR (0.55) AR
SCHEMBL4148090 0.80 AR (0.64) AR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP claimed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US claimed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US claimed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US claimed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US claimed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US claimed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 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 (3 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-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885NTRK1 273/4885NTRK3 298/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885NTRK1 273/4885NTRK3 298/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885NTRK1 273/4885NTRK3 298/4885

“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.