SCHEMBL2261097

SCHEMBL2261097

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.47
NOTUM Q6P988 1/20 0.47
P2RY1 P47900 2/20 0.43
LMNA P02545 2/20 0.43
GALR3 O60755 1/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 4/20 0.42
POLB P06746 3/20 0.42
PDPK1 O15530 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2260618 0.91 HPGD (0.46) TGFBR1P2RY1KDM4EKMT2ACYP1A2
SCHEMBL2257314 0.91 TGFBR1 (0.47) TGFBR1NOTUMP2RY1LMNAKDM4E
SCHEMBL2257658 0.90 KCNJ6 (0.49) TGFBR1NOTUMP2RY1KDM4EMAPT
SCHEMBL14177079 0.90 TGFBR1 (0.44) TGFBR1NOTUMP2RY1STAT3KDM4E
SCHEMBL2255924 0.90 TGFBR1 (0.44) TGFBR1NOTUMP2RY1KDM4EMAPT
SCHEMBL2260513 0.90 TGFBR1 (0.44) TGFBR1NOTUMLMNAKDM4EMAPT
SCHEMBL2257201 0.90 TGFBR1 (0.45) TGFBR1NOTUMP2RY1KDM4EPDPK1
SCHEMBL2259123 0.90 KDM4E (0.47) TGFBR1NOTUMP2RY1LMNAKDM4E
SCHEMBL2263535 0.90 KCNJ5 (0.48) TGFBR1P2RY1LMNAKDM4EMAPT
SCHEMBL2256147 0.90 NOTUM (0.51) TGFBR1NOTUMP2RY1KDM4EMAPT

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 TGFBR1 481/4885NOTUM 1781/4885P2RY1 302/4885

“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.