SCHEMBL1940343

SCHEMBL1940343

CC(=O)N1CCN(c2cc(CSc3ncccc3C(=O)Nc3ccc(OC(F)(F)F)cc3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDR P35968 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RCE1 Q9Y256 1/20 0.42
EPHX2 P34913 2/20 0.41
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
ABL1 P00519 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1941724 0.89 KDR (0.48) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941582 0.88 MAPT (0.49) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941819 0.85 KDR (0.46) MAPTKDRSMN1; SMN2HTTTDP1
SCHEMBL1791172 0.85 MAPT (0.51) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1940720 0.83 KDR (0.47) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941285 0.83 KDR (0.45) MAPTKMT2AKDRSMN1; SMN2HTT
SCHEMBL4018848 0.83 MAPT (0.57) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941085 0.82 MAPT (0.63) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941050 0.82 KDR (0.55) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941480 0.81 MAPT (0.55) MAPTCRHBPKMT2ACRHR2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 MAPT 4537/4885CRHBP 2593/4885KMT2A 2966/4885

“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.