SCHEMBL1942972

SCHEMBL1942972

CN1CCN(CC(=O)NC(Sc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KDR P35968 4/20 0.47
ABL1 P00519 1/20 0.45
KCNA5 P22460 2/20 0.44
FLT1 P17948 3/20 0.41
P2RY1 P47900 5/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1941759 0.93 KDR (0.47) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL1942113 0.93 KDR (0.49) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL1940183 0.93 KDR (0.49) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL1941580 0.93 KMT2A (0.48) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL1940335 0.91 KDR (0.47) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL1940830 0.91 KDR (0.47) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL3924396 0.90 KDR (0.47) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL3925002 0.90 KMT2A (0.41) KMT2AMEN1ATMMAPTCRHBP
SCHEMBL3933632 0.88 MAPT (0.49) KMT2AMAPTCRHBPCRHR2KDR
SCHEMBL3935970 0.88 KDR (0.51) KMT2AATMMAPTKDRKCNA5

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 KMT2A 2966/4885MEN1 3379/4885ATM 2893/4885

“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.