SCHEMBL2425530

SCHEMBL2425530

Nc1nccc(COc2nsnc2N2CCN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
TACR1 P25103 3/20 0.41
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 4/20 0.39
CNR1 P21554 1/20 0.38
RBP4 P02753 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2384368 0.86 TRPV1 (0.45) NPSR1HSD17B10PI4KBMAPTLMNA
SCHEMBL2385475 0.85 GPR183 (0.43) ME2ME1ME3NPSR1MEN1
SCHEMBL2385080 0.83 NR2E1 (0.42) NPSR1HSD17B10PI4KBMAPTLMNA
SCHEMBL2385933 0.82 TRPV1 (0.42) NPSR1HSD17B10PI4KBMAPTLMNA
SCHEMBL2382924 0.81 TRPV1 (0.53) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL2385390 0.81 TRPV1 (0.46) NPSR1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL2384209 0.80 TRPV1 (0.40) NPSR1RBP4TSHRALOX15MAPK1
SCHEMBL2387040 0.80 TRPV1 (0.39) RBP4ALDH1A1MAPTLMNAHPGD
SCHEMBL2383783 0.80 ALDH1A1 (0.43) RBP4ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2384301 0.78 MEN1 (0.53) ME2ME1ME3TACR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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 (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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ME2 1682/4885ME1 2923/4885ME3 2862/4885

“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.