SCHEMBL19626536

SCHEMBL19626536

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(C)C1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ABL1 P00519 2/20 0.41

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
SCHEMBL21935695 0.85 PORCN (0.46) TRPA1SMN1; SMN2TP53
SCHEMBL19590909 0.83 KMT2A (0.47) MAPTLMNAKMT2AMEN1HPGD
SCHEMBL22105260 0.82 KMT2A (0.46) MAPTLMNAKMT2AMEN1ATM
SCHEMBL20029975 0.81 MEN1 (0.48) MAPTTRPA1KMT2AMEN1SMN1; SMN2
SCHEMBL19590905 0.81 TRPA1 (0.41) MAPTLMNATRPA1KMT2AMEN1
SCHEMBL22105261 0.81 PSEN1 (0.41) MAPTLMNAKMT2AMEN1CYP1A2
SCHEMBL19997366 0.80 POLB (0.46) MAPTLMNAHPGDSMN1; SMN2MAPK1
SCHEMBL19626687 0.80 SMN1; SMN2 (0.42) MAPTLMNAKMT2AMEN1HPGD
SCHEMBL19997382 0.79 PORCN (0.40) MAPTLMNATRPA1KMT2AMEN1
SCHEMBL22105263 0.79 PORCN (0.40) MAPTLMNATRPA1KMT2AMEN1

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-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

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 MAPT 4783/4885LMNA 2300/4885TRPA1 1560/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MAPT 4783/4885LMNA 2300/4885TRPA1 1560/4885

“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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