SCHEMBL788752

SCHEMBL788752

Cc1cccc2cc(CCl)c(Cl)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.61
DRD3 P35462 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 4/20 0.50
FAAH O00519 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.43
PIK3CD O00329 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 4/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL15471345 0.86 DRD4 (0.61) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL715900 0.85 DRD4 (0.59) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL1887979 0.85 DRD4 (0.59) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL717333 0.85 DRD4 (0.59) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL3653746 0.82 DRD4 (0.57) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL28827733 0.81 KMT2A (0.53) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL3656611 0.81 DRD4 (0.59) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL23885863 0.80 L3MBTL1 (0.61) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL30020062 0.80 L3MBTL1 (0.61) DRD4DRD3L3MBTL1KMT2ANPSR1
SCHEMBL9732163 0.80 DRD4 (0.53) DRD4DRD3L3MBTL1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957215-B Methylene bridged quinoline and 1,2, 3-triazole diheterocyclic compound and preparation method and application thereof 渤海大学 2023-03-21 CN disclosed
CN-114957215-A Methylene bridged quinoline and 1,2, 3-triazole diheterocyclic compound and preparation method and application thereof 渤海大学 2022-08-30 CN disclosed
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2018-08-21 US disclosed
EP-2616442-B1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2018-08-08 EP disclosed
EP-2616442-B1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2018-08-08 EP disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-9670212-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2017-06-06 US disclosed
US-9670212-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2017-06-06 US disclosed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US disclosed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
EP-2616471-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 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 (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-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 DRD4 4257/4885DRD3 3316/4885L3MBTL1 4451/4885
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 DRD4 4288/4885DRD3 3361/4885L3MBTL1 4465/4885
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture PIK3CD, PIK3CA, PIK3R5 DRD4 4288/4885DRD3 3361/4885L3MBTL1 4465/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 DRD4 4257/4885DRD3 3316/4885L3MBTL1 4451/4885

“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.