SCHEMBL767164

SCHEMBL767164

Nc1c(Cl)ncnc1NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 1/20 0.41
GALR3 O60755 1/20 0.41
MAP4K4 O95819 1/20 0.40
IRAK4 Q9NWZ3 5/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.39
PAK1 Q13153 1/20 0.38

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
SCHEMBL21138338 0.93 HPGDS (0.47) HPGDSHTTRAB9AGALR3MAP4K4
SCHEMBL30808262 0.93 HPGDS (0.47) HPGDSHTTRAB9AGALR3MAP4K4
SCHEMBL21138485 0.92 CD38 (0.40) HPGDSHTTRAB9AGALR3MAP4K4
SCHEMBL11617161 0.91 HPGDS (0.50) HPGDSHTTRAB9AMAPTLMNA
SCHEMBL21138215 0.83 BTK (0.49) HPGDSRAB9AGALR3IRAK4MAPT
SCHEMBL21823020 0.83 RAB9A (0.40) HTTRAB9AGALR3MAPTGAA
SCHEMBL30808247 0.83 RAB9A (0.40) HTTRAB9AGALR3MAPTGAA
SCHEMBL24286416 0.82 RAB9A (0.39) HTTRAB9AGALR3IRAK4MAPT
SCHEMBL10475553 0.82 RAB9A (0.39) HTTRAB9AGALR3IRAK4MAPT
SCHEMBL303845 0.81 PAK1 (0.47) RAB9APAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
EP-2398778-B1 AMINOPYRIDINEAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed
EP-2398778-B1 AMINOPYRIDINEAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
US-8202877-B2 Aminopyrimidinamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-19 US disclosed
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
EP-2398778-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2011-12-28 EP disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
EP-2246335-A1 Aminopyridineamides as pesticides Bayer CropScience AG (DE) 2010-11-03 EP disclosed
EP-2246335-A1 Aminopyridineamides as pesticides Bayer CropScience AG (DE) 2010-11-03 EP disclosed
WO-2010094406-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2010094406-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-08-26 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 (3 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-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES DDT, NPEPPS, PTMS HPGDS 3939/4885HTT 2989/4885RAB9A 980/4885
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 HPGDS 659/4885HTT 3547/4885RAB9A 596/4885
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents NPEPPS, DDT, DNPEP HPGDS 3896/4885HTT 3532/4885RAB9A 479/4885

“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.