SCHEMBL6161648

SCHEMBL6161648

CCOC(=O)Cc1c(F)ccc(N)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHEK1 O14757 1/20 0.41
NLRP3 Q96P20 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7494802 0.88 NLRP3 (0.42) MAPK1NLRP3ALDH1A1HSD17B10L3MBTL1
SCHEMBL18758397 0.85 NLRP3 (0.40) MAPK1NLRP3ALDH1A1HSD17B10L3MBTL1
SCHEMBL14999743 0.84 LMNA (0.42) MAPK1SMN1; SMN2CHEK1NLRP3ALDH1A1
SCHEMBL6163037 0.84 CYP4F2 (0.46) NLRP3ALDH1A1HSD17B10L3MBTL1GAA
SCHEMBL6286616 0.83 GAA (0.45) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1GAA
SCHEMBL16964041 0.83 KMT2A (0.47) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL5151531 0.81 PKM (0.42) SMN1; SMN2CHEK1ALDH1A1HSD17B10L3MBTL1
SCHEMBL27542150 0.80 MAPT (0.43) MAPK1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL1867904 0.80 NLRP3 (0.54) MAPK1SMN1; SMN2NLRP3ALDH1A1HSD17B10
SCHEMBL7880397 0.79 KDM4E (0.48) SMN1; SMN2NLRP3ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315869-A1 COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-10-14 US disclosed
US-20210315869-A1 COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-10-14 US disclosed
WO-2021202900-A1 1,6-NAPHTHYRIDINE COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-10-07 WO disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO 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-20210315869-A1 COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR MC2R, SLC10A1, SLC10A2 MAPK1 1949/4885SMN1; SMN2 942/4885CHEK1 674/4885

“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.