SCHEMBL19625384

SCHEMBL19625384

CC(C)(C)c1nc(-c2ccc(NC(N)=O)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.54
▸ RAB9A P51151 13/20 0.51
▸ NPC1 O15118 11/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ ALDH1A1 P00352 7/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ GFER P55789 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL19625304 0.87 KMT2A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19625312 0.86 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19627035 0.84 RAB9A (0.70) KIF11RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1692265 0.81 PIM1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19625477 0.77 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19625453 0.76 MEN1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12282347 0.76 LTA4H (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19625353 0.76 ATP4A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12282550 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL126387 0.74 KMT2A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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 KIF11 4813/4885RAB9A 3162/4885NPC1 2489/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KIF11 4813/4885RAB9A 3162/4885NPC1 2489/4885

“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.

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