SCHEMBL19625307

SCHEMBL19625307

CC(C)(C)c1nc(-c2ccccc2F)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.60
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTR3A P46098 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
VCP P55072 1/20 0.47
GSTO1 P78417 1/20 0.45
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 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
SCHEMBL19625328 0.83 ATP4A (0.53) MPLNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8700796 0.81 MPL (0.66) MPLNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL16274016 0.81 MPL (0.49) MPLHTR3A
SCHEMBL12293365 0.80 CYP19A1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL19625320 0.80 HSD17B10 (0.60) MPLNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL19625327 0.78 CYP19A1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL19625446 0.77 MPL (0.68) MPLNPC1RAB9AMAPTALOX5AP
SCHEMBL44739 0.75 MPL (1.00) MPLNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL3775075 0.75 MPL (0.68) MPLNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL799900 0.75 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
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 (2 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 MPL 2005/4885NPC1 2489/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MPL 2005/4885NPC1 2489/4885RAB9A 3162/4885

“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.