SCHEMBL2325846

SCHEMBL2325846

CN(C)CCNC(=O)C1CCNCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.58
GNAO1 P09471 1/20 0.58
GNAI1 P63096 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
POLB P06746 3/20 0.42
TP53 P04637 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL20142152 0.90 GNAI3 (0.63) GNAI3GNAO1GNAI1L3MBTL1HSD11B1
Tert-Butyl Formate SCHEMBL27659887 0.85 GNAI3 (0.45) GNAI3GNAO1GNAI1L3MBTL1HSD11B1
SCHEMBL9538617 0.84 NAAA (0.54) L3MBTL1HSD11B1SMN1; SMN2HSD17B10POLB
SCHEMBL2325837 0.83 GNAI3 (0.59) GNAI3GNAO1GNAI1HSD11B1ALDH1A1
SCHEMBL7260975 0.82 NAAA (0.57) L3MBTL1HSD11B1ALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL21197531 0.82 NAAA (0.53) GNAI3GNAO1GNAI1L3MBTL1HSD11B1
Hydrochloric Acid SCHEMBL21197517 0.82 L3MBTL1 (0.51) GNAI3GNAO1GNAI1L3MBTL1HSD11B1
Hydrochloric Acid SCHEMBL21198744 0.81 NAAA (0.56) L3MBTL1HSD11B1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9795296 0.81 HSD11B1 (0.49) L3MBTL1HSD11B1ALDH1A1HSD17B10POLB
SCHEMBL16727370 0.81 POLB (0.53) L3MBTL1HSD11B1ALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153666-A Indole derivatives and its purposes as kinases inhibitor 莱斯彼维特有限公司 2019-01-04 CN claimed
EP-2352732-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER Merck Patent GmbH (DE) 2011-08-10 EP claimed
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
EP-2727920-B1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2016-11-02 EP disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
US-8841456-B2 1,5-naphthyridine derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-09-23 US disclosed
US-20140142302-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-05-22 US disclosed
EP-2727920-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-05-07 EP disclosed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 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 (4 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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE GNAI3 318/4885GNAO1 1351/4885GNAI1 328/4885
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B GNAI3 1577/4885GNAO1 1123/4885GNAI1 1416/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN GNAI3 93/4885GNAO1 879/4885GNAI1 69/4885
US-20140142302-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF NRAS, RAF1, KRAS GNAI3 719/4885GNAO1 1224/4885GNAI1 404/4885

“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.