SCHEMBL2260504

SCHEMBL2260504

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.49
NOTUM Q6P988 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
IDH1 O75874 1/20 0.45
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TGFBR1 P36897 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12361543 0.91 RAB9A (0.51) KMT2APOLBHPGDNPSR1TGFBR1
SCHEMBL2257650 0.90 NPSR1 (0.55) KMT2AMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2257718 0.87 TRPV1 (0.49) MAPK1POLBHPGDNPSR1TGFBR1
SCHEMBL2257715 0.86 TRPV1 (0.51)
SCHEMBL2261075 0.86 TRPV1 (0.46) NPSR1ALDH1A1
SCHEMBL2256361 0.86 IDH1 (0.47) IDH1POLBHPGDNPSR1TGFBR1
SCHEMBL2257644 0.86 POLB (0.45) POLBTGFBR1
SCHEMBL2260836 0.85 TAOK1 (0.43) POLBHPGDNPSR1TGFBR1ALDH1A1
SCHEMBL2262135 0.85 HCRTR1 (0.49) MAPK1HTTPOLBHPGDNPSR1
SCHEMBL2259049 0.85 NOTUM (0.56) NOTUMCYP1A2CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 MEN1 3422/4885KMT2A 3296/4885MAPK1 1432/4885

“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.