SCHEMBL13751659

SCHEMBL13751659

COc1cc(/C=C2\SC(N3CCN(CCN4CCOCC4)CC3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ESRRA P11474 6/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
FOXM1 Q08050 1/20 0.43
ACKR3 P25106 1/20 0.41
CCR5 P51681 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
SCHEMBL2199098 1.00 MCHR1 (0.55) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL4147297 1.00 MCHR1 (0.55) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL4152670 0.95 MEN1 (0.55) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL2203186 0.95 MEN1 (0.55) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL13751613 0.94 MEN1 (0.57) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL4444898 0.94 MEN1 (0.57) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL2201942 0.94 MEN1 (0.57) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL2199950 0.93 MEN1 (0.59) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL13751718 0.93 MEN1 (0.59) MCHR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL2201289 0.92 MCHR1 (0.56) MCHR1MEN1KMT2AGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MCHR1 523/4885MEN1 3649/4885KMT2A 1309/4885

“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.