SCHEMBL3933632

SCHEMBL3933632

CC1CN1CC(=O)NC(Sc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDR P35968 7/20 0.49
FLT1 P17948 5/20 0.41
SMO Q99835 2/20 0.40
PGR P06401 1/20 0.40
GPR183 P32249 1/20 0.40
ABL1 P00519 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
P2RY1 P47900 1/20 0.38

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
SCHEMBL1940183 0.88 KDR (0.49) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1942113 0.88 KDR (0.49) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1942972 0.88 KMT2A (0.53) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL3924396 0.87 KDR (0.47) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1940215 0.87 KDR (0.54) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL3924985 0.87 KDR (0.49) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1941133 0.87 MAPT (0.53) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1941580 0.87 KMT2A (0.48) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL3923956 0.86 KDR (0.54) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL3924120 0.86 KDR (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.