SCHEMBL19939701

SCHEMBL19939701

CCc1cc(C(C)C)cc2nc(N)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.42
ELANE P08246 4/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CA P42336 3/20 0.34
MTOR P42345 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
TBK1 Q9UHD2 2/20 0.32

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
SCHEMBL19939697 0.86 NUDT1 (0.41) NUDT1ELANENPC1RAB9AKDM4E
SCHEMBL18645379 0.79 NUDT1 (0.64) NUDT1ELANEESR1ESR2NPC1
SCHEMBL19939698 0.79 NUDT1 (0.64) NUDT1ELANENPC1RAB9AKDM4E
SCHEMBL19939690 0.78 NUDT1 (0.45) NUDT1NPC1RAB9AKDM4EMEN1
SCHEMBL19939691 0.78 NUDT1 (0.45) NUDT1NPC1RAB9AKDM4EMEN1
SCHEMBL18614566 0.78 NUDT1 (0.45) NUDT1ELANEESR1ESR2MAPT
SCHEMBL19939689 0.75 NUDT1 (0.42) NUDT1ESR1ESR2NPC1RAB9A
SCHEMBL19939693 0.75 NUDT1 (0.42) NUDT1ESR1ESR2NPC1RAB9A
SCHEMBL19939696 0.74 NUDT1 (0.41) NUDT1NPC1RAB9AKDM4EMEN1
SCHEMBL19939692 0.74 NUDT1 (0.39) NUDT1NPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2019-10-08 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
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
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 (3 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-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885ELANE 4410/4885ESR1 2225/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885ELANE 4410/4885ESR1 2225/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885ELANE 4410/4885ESR1 2225/4885

“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.