SCHEMBL19922356

SCHEMBL19922356

Cc1cc(Br)cc2nc(N)oc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.68
NQO2 P16083 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CEPT1 Q9Y6K0 1/20 0.36
TERT O14746 1/20 0.34
PIK3CA P42336 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 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
BACE1 P56817 1/20 0.32
LCK P06239 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ACHE P22303 1/20 0.31
PABPC1 P11940 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
SCHEMBL26110247 0.81 NUDT1 (0.43) NUDT1NQO2NPC1RAB9ACEPT1
SCHEMBL3529852 0.81 NUDT1 (1.00) NUDT1NPC1RAB9AMAPTLMNA
SCHEMBL1282332 0.81 NUDT1 (0.47) NUDT1NQO2PIK3CAMAPTLMNA
SCHEMBL19939698 0.79 NUDT1 (0.64) NUDT1NPC1RAB9APIK3CAMAPT
SCHEMBL18614398 0.78 NUDT1 (0.44) NUDT1CEPT1PIK3CAMAPTLMNA
SCHEMBL19922859 0.78 NUDT1 (0.44) NUDT1PIK3CAMAPTLMNACYP1A2
SCHEMBL16391288 0.78 NUDT1 (0.41) NUDT1NQO2NPC1RAB9ACEPT1
SCHEMBL18614566 0.77 NUDT1 (0.45) NUDT1PIK3CAMAPTLMNACYP1A2
SCHEMBL1733864 0.76 NPC1 (0.53) NUDT1NPC1RAB9ACEPT1MAPT
SCHEMBL18645265 0.74 NUDT1 (0.41) NUDT1PIK3CAMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409378-A Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2021-02-26 CN disclosed
CN-108349996-B Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2021-01-08 CN disclosed
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2019-10-08 US disclosed
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-11-15 US disclosed
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2018-09-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 2660/4885NQO2 3467/4885NPC1 901/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885NQO2 3467/4885NPC1 901/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885NQO2 3467/4885NPC1 901/4885
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885NQO2 3467/4885NPC1 901/4885
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB NUDT1 2660/4885NQO2 3467/4885NPC1 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.