SCHEMBL1941840

SCHEMBL1941840

CC(=O)OCC(=O)NC(Sc1ncccc1C(=O)Nc1cccc(C)c1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDR P35968 8/20 0.42
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
FLT1 P17948 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MAPT P10636 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
SCHEMBL1941540 0.93 KMT2A (0.44) KMT2AKDRLMNAMEN1ALDH1A1
SCHEMBL3932283 0.91 KDR (0.43) KMT2AKDRNPSR1LMNAALDH1A1
SCHEMBL3926542 0.89 KDR (0.50) KMT2AKDRNPSR1LMNAMEN1
SCHEMBL1940474 0.89 KMT2A (0.47) KMT2AKDRLMNAMEN1FLT1
SCHEMBL3935281 0.88 KMT2A (0.46) KMT2AKDRLMNAMEN1FLT1
SCHEMBL1942512 0.86 KDR (0.56) KMT2AKDRLMNAALDH1A1SMN1; SMN2
SCHEMBL1940937 0.86 KMT2A (0.44) KMT2AKDRLMNAMEN1FLT1
Hydrochloric Acid SCHEMBL1942612 0.85 KMT2A (0.44) KMT2AKDRLMNAMEN1FLT1
SCHEMBL1941267 0.85 L3MBTL1 (0.51) KMT2AKDRLMNAMEN1ALDH1A1
SCHEMBL3924825 0.85 KDR (0.52) KMT2AKDRNPSR1FLT1MAPT

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 KMT2A 2966/4885KDR 12/4885NPSR1 349/4885

“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.