SCHEMBL10310057

SCHEMBL10310057

CCN1CCN(C2COC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ACHE P22303 3/20 0.33
HSD11B1 P28845 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 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
SCHEMBL24485994 0.90 KMT2A (0.49) KMT2AACHESMN1; SMN2ALDH1A1KDM4E
SCHEMBL24485998 0.84 KMT2A (0.37) KMT2AACHEHSD11B1SMN1; SMN2
SCHEMBL21949965 0.83 KMT2A (0.44) KMT2AACHESMN1; SMN2ALDH1A1KDM4E
SCHEMBL17918971 0.83 DRD2 (0.36) PDCD1LG2CD274SMN1; SMN2ALDH1A1
SCHEMBL25124459 0.81 KMT2A (0.36) KMT2AACHEHSD11B1ALDH1A1KDM4E
SCHEMBL20457908 0.79 GNAI3 (0.40) ALDH1A1
SCHEMBL4550367 0.78 KMT2A (0.46) KMT2AACHE
SCHEMBL7907325 0.78 KMT2A (0.49) KMT2AACHEHSD11B1SMN1; SMN2CHRNA7
SCHEMBL21675901 0.78 GAA (0.33) KMT2ASMN1; SMN2GAA
SCHEMBL21688341 0.78 GAA (0.33) KMT2ASMN1; SMN2GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-20230312504-A1 QUINOLINE COMPOUNDS GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2023-10-05 US disclosed
US-20230312504-A1 QUINOLINE COMPOUNDS GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2023-10-05 US disclosed
WO-2023116902-A1 SOS1 INHIBITOR 北京望实智慧科技有限公司 2023-06-29 WO disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 US disclosed
WO-2022135432-A1 MACROCYCLIC HETEROCYCLIC COMPOUNDS AS EGFR INHIBITORS, AND USE THEREOF 南京圣和药业股份有限公司 2022-06-30 WO disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3342773-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2018-07-04 EP disclosed
WO-2018113771-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHODS AND USES THEIROF BETTA PHARMACEUTICALS CO., LTD (CN) 2018-06-28 WO disclosed
US-9908875-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-03-06 US disclosed
WO-2015091889-A1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
WO-2011039344-A1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 WO disclosed
WO-2010136559-A1 2, 4 -DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (7 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 KMT2A 2433/4885PDCD1LG2 1854/4885CD274 2021/4885
US-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA KMT2A 1062/4885PDCD1LG2 1483/4885CD274 1413/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 KMT2A 2806/4885PDCD1LG2 2455/4885CD274 3553/4885
US-20230312504-A1 QUINOLINE COMPOUNDS NQO2, ABCG2, NQO1 KMT2A 1832/4885PDCD1LG2 3581/4885CD274 4120/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KMT2A 4323/4885PDCD1LG2 2716/4885CD274 4121/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KMT2A 4343/4885PDCD1LG2 2761/4885CD274 4155/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK KMT2A 3503/4885PDCD1LG2 4267/4885CD274 4618/4885

“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.