SCHEMBL4543547

SCHEMBL4543547

COCCc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O.COc1ccccc1CNC(=O)c1csc(CNC(=O)CC=Cc2ccccc2)n1.Cc1ccccc1Cc1oc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O.NC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1CCCN1CCCC1=O.NC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1Cc1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4543544 0.82 TYRO3 (0.34) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL4563134 0.70 MAPT (0.35) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL4390910 0.67 MAPT (0.61) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL4543941 0.67 MAPT (0.38) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2188149 0.66 MAPT (0.37) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL5670554 0.65 MAPT (0.59) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2220058 0.64 CACNA1G (0.30)
SCHEMBL2215614 0.64 MEN1 (0.31)
SCHEMBL2176692 0.62 MAPT (0.52) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2172030 0.62 MAPT (0.51) CYP1A2CYP3A4MAPTCYP2C9CYP2C19

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 CYP1A2 3488/4885CYP3A4 3497/4885MAPT 4524/4885

“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.