SCHEMBL1941878

SCHEMBL1941878

CCCNC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
KDR P35968 2/20 0.48
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAMPT P43490 2/20 0.43
TRPV1 Q8NER1 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIT P10721 1/20 0.39
BRAF P15056 1/20 0.39
CXCR2 P25025 1/20 0.39
GPR52 Q9Y2T5 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
SCHEMBL1941439 0.90 KMT2A (0.53) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1941085 0.88 MAPT (0.63) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1941480 0.88 MAPT (0.55) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL3926500 0.87 KDR (0.52) MAPTKMT2ACRHBPCRHR2KDR
Hydrochloric Acid SCHEMBL1939940 0.87 MAPT (0.54) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1941405 0.87 KDR (0.64) MAPTKMT2AKDRMEN1KIT
SCHEMBL29460351 0.86 KDR (0.51) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL29460352 0.86 KDR (0.51) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1073668 0.86 KDR (0.51) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1941243 0.86 KMT2A (0.52) MAPTKMT2ACRHBPCRHR2KDR

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 MAPT 4537/4885KMT2A 2966/4885CRHBP 2593/4885

“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.