SCHEMBL13751653

SCHEMBL13751653

COc1cc(C=C=C2SC(N3CCN(C)CC3)=NC2=O)ccc1OCCCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.53
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
POLB P06746 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ESRRA P11474 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ACHE P22303 2/20 0.36
PLA2G1B P04054 1/20 0.36

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
SCHEMBL12510691 0.89 MCHR1 (0.57) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2200248 0.85 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2200243 0.85 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL12510690 0.85 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL13751702 0.85 MCHR1 (0.51) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL13751704 0.83 MCHR1 (0.53) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL8267822 0.83 MCHR1 (0.55) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL13751806 0.83 MCHR1 (0.49) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL12510612 0.80 MCHR1 (0.57) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL13751741 0.80 MCHR1 (0.51) MCHR1MEN1KMT2APOLBMAPT

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.