SCHEMBL18645375

SCHEMBL18645375

Cc1cc(F)c2oc(N)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.68
RPS6KA2 Q15349 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 3/20 0.34
LCK P06239 2/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CG P48736 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 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
SCHEMBL3529852 0.81 NUDT1 (1.00) NUDT1NPC1RAB9ALCKLMNA
SCHEMBL27360214 0.81 NUDT1 (0.43) NUDT1NPC1RAB9ALMNAMAPT
SCHEMBL31430591 0.81 NUDT1 (0.47) NUDT1RPS6KA2PIK3CALMNACYP1A2
SCHEMBL18614398 0.78 NUDT1 (0.44) NUDT1RPS6KA2PIK3CALMNACYP1A2
SCHEMBL18645373 0.78 NUDT1 (0.68) NUDT1NPC1RAB9APIK3CALCK
SCHEMBL18645372 0.77 NUDT1 (0.62) NUDT1RPS6KA2NPC1RAB9ALCK
SCHEMBL18645374 0.77 NUDT1 (0.62) NUDT1RPS6KA2NPC1RAB9APIK3CA
SCHEMBL18645381 0.77 NUDT1 (0.62) NUDT1RPS6KA2NPC1RAB9ALCK
SCHEMBL19939691 0.77 NUDT1 (0.45) NUDT1RPS6KA2NPC1RAB9APIK3CA
SCHEMBL18645379 0.75 NUDT1 (0.64) NUDT1NPC1RAB9APIK3CALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP 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
WO-2017042182-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO 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 2660/4885RPS6KA2 198/4885NPC1 901/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885RPS6KA2 198/4885NPC1 901/4885

“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.