SCHEMBL19626602

SCHEMBL19626602

CCN1CCN(c2ccc(-c3csc(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.44
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
MPL P40238 1/20 0.43
HCK P08631 1/20 0.41
NR2C2 P49116 1/20 0.41
BTK Q06187 1/20 0.41
CSF1R P07333 2/20 0.41
NTRK1 P04629 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
KCNH2 Q12809 1/20 0.41
NTRK3 Q16288 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 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
SCHEMBL19626610 0.89 MPL (0.41) MPLHCKNR2C2BTKCSF1R
SCHEMBL19626597 0.87 TRIM24 (0.48) TRIM24CASP3CASP2MPLALDH1A1
SCHEMBL19626779 0.86 ALDH1A1 (0.47) TRIM24CASP3CASP2MPLALDH1A1
SCHEMBL19626780 0.84 NOTUM (0.54) TRIM24MPLALDH1A1MAPTGAA
SCHEMBL17625970 0.82 NOTUM (0.41) HCKNR2C2BTKCSF1RNTRK1
SCHEMBL19625439 0.75 MAPT (0.48) TRIM24ALDH1A1MAPTGAAHPGD
SCHEMBL19626792 0.75 NOTUM (0.45) MPLALDH1A1KDM4EHPGDRAB9A
SCHEMBL17400548 0.75 MPL (0.63) MPLALDH1A1MAPTKDM4EHPGD
SCHEMBL19626793 0.73 NOTUM (0.52) MPLFLT3MAPTKDM4EHPGD
SCHEMBL21301011 0.73 AR (0.48) MPLALDH1A1MAPTGAAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 TRIM24 3531/4885CASP3 2387/4885CASP2 3420/4885

“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.