SCHEMBL2260461

SCHEMBL2260461

CN(Cc1cccnc1)C(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.50
GPBAR1 Q8TDU6 1/20 0.44
RIPK1 Q13546 1/20 0.42
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.40
TACR1 P25103 3/20 0.40
GRM5 P41594 1/20 0.40
RXRA P19793 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
IDH1 O75874 1/20 0.39
CRACR2A Q9BSW2 1/20 0.39
CLK1 P49759 1/20 0.39
NAMPT P43490 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
RAB9A P51151 1/20 0.38
PDK1 Q15118 1/20 0.38

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
SCHEMBL3473683 0.86 RXRA (0.49) CARM1GPBAR1RIPK1CNR1GRM5
SCHEMBL2256669 0.81 IDH1 (0.52) CARM1LMNAIDH1
SCHEMBL2256592 0.80 CARM1 (0.44) CARM1LMNACNR1RXRANR1H2
SCHEMBL2259767 0.80 CARM1 (0.47) CARM1RIPK1LMNACNR1RXRA
SCHEMBL2255810 0.79 CARM1 (0.43) CARM1CNR1RXRANR1H2NR1H3
SCHEMBL2260302 0.79 RXRA (0.38) CARM1GPBAR1RXRANR1H2NR1H3
SCHEMBL2258174 0.79 POLB (0.44) CARM1CNR1TACR1RXRANR1H2
SCHEMBL2259964 0.79 CARM1 (0.44) CARM1CNR1RXRANR1H2NR1H3
SCHEMBL2261071 0.78 CARM1 (0.43) CARM1LMNACNR1RXRANR1H2
SCHEMBL2255843 0.78 CARM1 (0.43) CARM1LMNACNR1TACR1RXRA

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 9 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
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 CARM1 2887/4885GPBAR1 13/4885RIPK1 1586/4885

“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.