SCHEMBL1940973

SCHEMBL1940973

O=C(CO)NC(Sc1ncccc1C(=O)Nc1ccc(OC(F)F)cc1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
KDR P35968 4/20 0.43
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
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKCI P41743 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL1940887 0.92 KMT2A (0.44) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL3935235 0.92 KDR (0.45) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL1940877 0.91 KMT2A (0.42) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL1941584 0.90 KMT2A (0.45) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL3932845 0.89 KMT2A (0.44) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL1940690 0.89 KMT2A (0.44) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL1940215 0.89 KDR (0.54) KMT2AKDRSMN1; SMN2HTTMAPT
SCHEMBL1941618 0.88 KMT2A (0.43) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL3924391 0.87 KMT2A (0.42) KMT2AKDRKDM4EMEN1MAPK1
SCHEMBL1941872 0.86 KDR (0.52) KMT2AKDRSMN1; SMN2RXFP1

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 12/4885KDM4E 1390/4885

“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.