SCHEMBL1940887

SCHEMBL1940887

NCC(=O)NC(Sc1ncccc1C(=O)Nc1ccc(OC(F)F)cc1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
KDR P35968 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL1940973 0.92 KMT2A (0.45) KMT2AKDRSMN1; SMN2HTTKDM4E
SCHEMBL3935235 0.91 KDR (0.45) KMT2AKDRSMN1; SMN2HTTKDM4E
SCHEMBL1941584 0.89 KMT2A (0.45) KMT2AKDRSMN1; SMN2HTTKDM4E
SCHEMBL1942109 0.89 KDR (0.54) KMT2AKDRSMN1; SMN2HTTALDH1A1
SCHEMBL1940877 0.88 KMT2A (0.42) KMT2AKDRSMN1; SMN2HTTKDM4E
SCHEMBL3932845 0.88 KMT2A (0.44) KMT2AKDRSMN1; SMN2KDM4EMEN1
SCHEMBL1940690 0.88 KMT2A (0.44) KMT2AKDRSMN1; SMN2HTTKDM4E
SCHEMBL3921121 0.86 KDR (0.58) KMT2AKDRSMN1; SMN2KDM4EMEN1
SCHEMBL3924391 0.86 KMT2A (0.42) KMT2AKDRSMN1; SMN2KDM4EMEN1
SCHEMBL1942100 0.85 KMT2A (0.43) KMT2AKDRSMN1; SMN2KDM4EMEN1

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
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 claimed
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 claimed
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 claimed
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 KMT2A 2966/4885KDR 12/4885SMN1; SMN2 4412/4885

“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.