SCHEMBL18614535

SCHEMBL18614535

CN(C)C=NC(=O)c1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.54
NAPRT Q6XQN6 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 5/20 0.42
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL18614534 1.00 DGAT1 (0.54) DGAT1NAPRTL3MBTL1HTTSMN1; SMN2
SCHEMBL7710462 0.80 SMN1; SMN2 (0.40) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7710467 0.80 SMN1; SMN2 (0.40) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL425120 0.78 HTT (0.61) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL446955 0.78 HTT (0.61) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8344692 0.77 CYP11B1 (0.44) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22291361 0.76 L3MBTL1 (0.40) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22291363 0.76 L3MBTL1 (0.40) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL31473960 0.76 L3MBTL1 (0.40) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29370580 0.76 L3MBTL1 (0.40) L3MBTL1HTTSMN1; SMN2ALDH1A1KMT2A

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 10 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
EP-3347361-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE H. Hoffnabb-La Roche Ag (CH) 2018-07-18 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 (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 DGAT1 1629/4885NAPRT 1623/4885L3MBTL1 4168/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB DGAT1 1629/4885NAPRT 1623/4885L3MBTL1 4168/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB DGAT1 1629/4885NAPRT 1623/4885L3MBTL1 4168/4885
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB DGAT1 1629/4885NAPRT 1623/4885L3MBTL1 4168/4885
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB DGAT1 1629/4885NAPRT 1623/4885L3MBTL1 4168/4885

“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.