Sugi Predict

Sugi Predict / Compounds / SCHEMBL4138439

SCHEMBL4138439

SCHEMBL4138439

Cc1c(-c2ccccn2)n(C[C@H](O)C(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.49
▸ AVPR2 P30518 11/20 0.39
▸ AVPR1A P37288 11/20 0.39
▸ NOS2 P35228 1/20 0.35
▸ CBFB Q13951 2/20 0.34
▸ METAP2 P50579 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ CYBB P04839 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL4138444 1.00 AR (0.49) ARAVPR2AVPR1ANOS2CBFB
SCHEMBL4134427 0.86 AR (0.53) ARAVPR2AVPR1AKMT2A
SCHEMBL4134431 0.86 AR (0.53) ARAVPR2AVPR1AKMT2A
SCHEMBL9885147 0.86 AR (0.53) ARAVPR2AVPR1AKMT2A
SCHEMBL4133996 0.85 AR (0.51) ARAVPR2AVPR1ANOS2OPRK1
SCHEMBL4138811 0.85 AR (0.51) ARAVPR2AVPR1ANOS2OPRK1
SCHEMBL4134002 0.85 AR (0.51) ARAVPR2AVPR1ANOS2OPRK1
SCHEMBL4139310 0.84 AR (0.54) ARNOS2CBFBMETAP2MEN1
SCHEMBL4152904 0.84 AR (0.48) ARAVPR2AVPR1A
SCHEMBL4152907 0.84 AR (0.48) ARAVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 1/4885AVPR2 462/4885AVPR1A 391/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885AVPR2 462/4885AVPR1A 391/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885AVPR2 462/4885AVPR1A 391/4885

“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.