SCHEMBL1942002

SCHEMBL1942002

CNc1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.58
TYK2 P29597 1/20 0.47
GRM4 Q14833 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FADS1 O60427 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
NLRP3 Q96P20 1/20 0.42
KIT P10721 1/20 0.42
BRAF P15056 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
SCHEMBL1939754 0.91 KDR (0.57) KDRTYK2GRM4HDAC6MEN1
SCHEMBL3927009 0.90 KDR (0.72) KDRTYK2MEN1KMT2AMAPT
SCHEMBL1941694 0.89 KDR (0.56) KDRTYK2GRM4HDAC6MEN1
SCHEMBL4023689 0.88 KDR (0.62) KDRGRM4HDAC6MEN1KMT2A
SCHEMBL1943134 0.87 KDR (0.52) KDRTYK2GRM4HDAC6MEN1
SCHEMBL4019811 0.86 KDR (0.78) KDRGRM4HDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL1941498 0.85 KDR (0.59) KDRTYK2GRM4HDAC6MEN1
SCHEMBL1940219 0.85 KDR (0.53) KDRMEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL3928359 0.84 KDR (0.53) KDRMEN1KMT2AMAPTNPC1
SCHEMBL4022548 0.84 KDR (0.57) KDRGRM4HDAC6MEN1KMT2A

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 KDR 12/4885TYK2 328/4885GRM4 2081/4885

“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.