SCHEMBL4130772

SCHEMBL4130772

Cc1c(-c2cccnc2)n(CC(F)(F)C(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
KMT2A Q03164 1/20 0.36
NOS2 P35228 1/20 0.36
TBXAS1 P24557 5/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CYP11B2 P19099 2/20 0.34
MAPK14 Q16539 1/20 0.34
GRM2 Q14416 1/20 0.33
GAA P10253 1/20 0.33
PTGES2 Q9H7Z7 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
SCHEMBL4142957 0.93 AR (0.63) ARKMT2ANOS2TBXAS1KDM4E
SCHEMBL4147069 0.90 AR (0.56) ARNOS2KDM4EGRM2
SCHEMBL4138699 0.88 AR (0.59) ARKMT2AKDM4EALDH1A1HPGD
SCHEMBL4143035 0.85 AR (0.48) ARKMT2ANOS2TBXAS1KDM4E
SCHEMBL4143030 0.85 AR (0.48) ARKMT2ANOS2TBXAS1KDM4E
SCHEMBL4139310 0.82 AR (0.54) ARKMT2ANOS2ALDH1A1HCRTR1
SCHEMBL4143689 0.82 AR (0.66) ARNOS2
SCHEMBL4136819 0.81 AR (0.55) ARKDM4E
SCHEMBL4148090 0.81 AR (0.64) AR
SCHEMBL4144905 0.81 AR (0.52) 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 1/4885KMT2A 1929/4885NOS2 4320/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885KMT2A 1929/4885NOS2 4320/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885KMT2A 1929/4885NOS2 4320/4885

“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.