SCHEMBL19939697

SCHEMBL19939697

CC(C)c1cc(CF)c2oc(N)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.41
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL19939701 0.86 NUDT1 (0.42) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19939691 0.80 NUDT1 (0.45) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL18645372 0.80 NUDT1 (0.62) NUDT1NPC1MAPTRAB9ALMNA
SCHEMBL19939698 0.78 NUDT1 (0.64) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19943058 0.77 NUDT1 (0.42) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19939689 0.77 NUDT1 (0.42) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19939690 0.76 NUDT1 (0.45) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19939696 0.76 NUDT1 (0.41) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19939692 0.75 NUDT1 (0.39) NUDT1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19939693 0.74 NUDT1 (0.42) NUDT1KDM4EMEN1NPC1ALDH1A1

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-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 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-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885KDM4E 2982/4885MEN1 2518/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885KDM4E 2982/4885MEN1 2518/4885

“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.