SCHEMBL4392436

SCHEMBL4392436

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MCHR1 Q99705 2/20 0.51
ADIPOR2 Q86V24 1/20 0.51
ADIPOR1 Q96A54 1/20 0.51
CHRM4 P08173 2/20 0.51
KCNH2 Q12809 1/20 0.49
ACHE P22303 5/20 0.49
BCHE P06276 4/20 0.49
BACE1 P56817 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
USP2 O75604 1/20 0.49
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
PRKAA2 P54646 2/20 0.47
FAAH O00519 4/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47

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
SCHEMBL4390775 0.86 TAOK1 (0.44) EPHX2
SCHEMBL5668976 0.84 LMNA (0.43) MCHR1EPHX2
SCHEMBL4387610 0.84 KDM4E (0.42) POLBMCHR1CHRM2USP2EPHX2
SCHEMBL5667982 0.79 KDM4E (0.47)
SCHEMBL4389885 0.78 KDM4E (0.50) MCHR1ACHEEPHX2
SCHEMBL2173905 0.78 SHMT2 (0.43) MCHR1
SCHEMBL4562630 0.78 SMN1; SMN2 (0.42) POLB
SCHEMBL5670103 0.78 TAOK1 (0.67)
SCHEMBL4541090 0.78 EPHX2 (0.49) POLBMCHR1EPHX2
SCHEMBL4541091 0.78 EPHX2 (0.49) POLBMCHR1EPHX2

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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 POLB 3321/4885MCHR1 3465/4885ADIPOR2 1507/4885

“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.