SCHEMBL4389385

SCHEMBL4389385

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)N2Cc3ccccc3C2)cs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
NAMPT P43490 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MDM2 Q00987 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC6 Q9Y210 1/20 0.40
NR1D1 P20393 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MCHR1 Q99705 1/20 0.37
MAPT P10636 1/20 0.37
SHMT2 P34897 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
KCNA5 P22460 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
SCHEMBL5668246 0.94 L3MBTL1 (0.49) TAOK1TAOK3NAMPTL3MBTL1MDM2
SCHEMBL2173905 0.82 SHMT2 (0.43) TAOK1TAOK3CYP1A2CYP2C19KDM4E
SCHEMBL2171393 0.81 ALDH1A1 (0.42) TAOK1TAOK3CYP1A2CYP2C19MCHR1
SCHEMBL2172250 0.81 MEN1 (0.45) CYP1A2CYP2C19MCHR1MAPTSHMT2
SCHEMBL5668886 0.81 KMT2A (0.41) TAOK1TAOK3TRPC3TRPC6MCHR1
SCHEMBL2176703 0.79 TAOK1 (0.51) TAOK1TAOK3CYP1A2CYP2C19MAPT
SCHEMBL2173319 0.79 MCHR1 (0.40) MCHR1
SCHEMBL5667985 0.79 MAPT (0.54) MAPT
SCHEMBL4562630 0.79 SMN1; SMN2 (0.42) TAOK1TAOK3CYP1A2CYP2C19KDM4E
SCHEMBL5667982 0.79 KDM4E (0.47) CYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 TAOK1 2409/4885TAOK3 1654/4885NAMPT 3953/4885

“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.