SCHEMBL1940883

SCHEMBL1940883

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCOCC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 2/20 0.45
ABCB1 P08183 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HIF1A Q16665 2/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CD O00329 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
MAPT P10636 2/20 0.43
PIK3CB P42338 1/20 0.43
PPARG P37231 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1940260 0.92 KDR (0.49) KDRCYP1A2KDM4ESMN1; SMN2TP53
SCHEMBL1941128 0.90 KDR (0.48) KDRKDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL1942005 0.90 KDR (0.47) KDRCYP1A2KDM4ESMN1; SMN2TP53
Hydrochloric Acid SCHEMBL1942594 0.89 KDR (0.46) KDRCYP1A2KDM4ESMN1; SMN2TP53
SCHEMBL1943078 0.89 KDR (0.46) KDRCYP1A2KDM4ESMN1; SMN2TP53
SCHEMBL1941819 0.89 KDR (0.46) KDRCYP1A2KDM4ESMN1; SMN2TP53
SCHEMBL1942108 0.86 ALDH1A1 (0.46) KDRPOLBKDM4ESMN1; SMN2TP53
SCHEMBL1942038 0.86 ALDH1A1 (0.46) KDRPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL1940261 0.85 KDR (0.46) KDRCYP1A2KDM4ESMN1; SMN2TP53
SCHEMBL1941265 0.85 SMN1; SMN2 (0.48) KDRCYP1A2ABCB1KDM4ESMN1; SMN2

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 8 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-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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 KDR 12/4885POLB 2667/4885CYP1A2 3017/4885

“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.