SCHEMBL1940569

SCHEMBL1940569

CN(C)CCNCC(=O)NC(Sc1ncccc1C(=O)Nc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.51
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 2/20 0.37
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL3922954 0.95 KDR (0.49) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1942036 0.90 KDR (0.45) KDRKMT2AALDH1A1LMNANR3C1
SCHEMBL3926428 0.90 KDR (0.54) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1942302 0.89 KMT2A (0.42) KDRKMT2ANPC1TDP1ALDH1A1
SCHEMBL3927544 0.89 KDR (0.51) KDRKMT2ANPC1TSHRTDP1
SCHEMBL3921063 0.88 KDR (0.52) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1941022 0.88 KMT2A (0.41) KDRKMT2ATDP1ALDH1A1KDM4E
SCHEMBL1941788 0.88 KDR (0.56) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1940711 0.88 MAPT (0.48) KDRKMT2ATDP1ALDH1A1KDM4E
SCHEMBL1939868 0.87 KMT2A (0.41) KDRKMT2AALDH1A1SMN1; SMN2MEN1

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 5 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
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

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 KDR 12/4885KMT2A 2966/4885NPC1 3652/4885

“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.