SCHEMBL2735458

SCHEMBL2735458

Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)c1[nH]cnc1C(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 5/20 0.45
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPK1 P28482 4/20 0.41
POLB P06746 3/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
ALDH1A1 P00352 3/20 0.41
NTSR1 P30989 1/20 0.40
SLC2A1 P11166 1/20 0.39
PIK3CA P42336 1/20 0.38
PRKDC P78527 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
SCHEMBL2735459 0.87 ALDH1A1 (0.42) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL2735394 0.87 ALDH1A1 (0.42) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL2735418 0.78 CHEK2 (0.48) MAPTNPSR1ALPLALPIALPG
SCHEMBL213788 0.78 MAPT (0.44) MAPTNPSR1ALPLALPIALPG
SCHEMBL14222312 0.77 MAPT (0.55) MAPTNPSR1ALPLALPIALPG
SCHEMBL216703 0.77 MAPT (0.55) MAPTNPSR1ALPLALPIALPG
SCHEMBL2735454 0.77 MAPT (0.55) MAPTNPSR1ALPLALPIALPG
SCHEMBL215916 0.76 NPSR1 (0.43) MAPTNPSR1ALPLALPIALPG
SCHEMBL2735440 0.76 CHEK2 (0.47) MAPTNPSR1ALPLALPIALPG
SCHEMBL216702 0.72 ALPL (0.45) MAPTNPSR1ALPLALPIALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MAPT 2138/4885NPSR1 4218/4885ALPL 4363/4885

“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.