SCHEMBL2148809

SCHEMBL2148809

CCOc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
TNFSF10 P50591 1/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 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
SCHEMBL2148780 0.84 TNFSF10 (0.47) PTGS2TNFSF10RAB9AMAPTNPC1
SCHEMBL12463157 0.82 MTOR (0.62) KMT2AMEN1LMNA
SCHEMBL13828967 0.79 TNFSF10 (0.50) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL2117163 0.78 NPC1 (0.49) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL18156616 0.75 NPC1 (0.47) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL29769219 0.74 XDH (0.58) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL13828996 0.74 RAB9A (0.46) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL2149019 0.73 PDGFRB (0.55) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL1409329 0.73 NPC1 (0.50) TNFSF10RAB9AMAPTNPC1KMT2A
SCHEMBL28827851 0.72 TNFSF10 (0.47) TNFSF10RAB9AMAPTNPC1KMT2A

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
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
EP-2519102-B1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEV CENTER BIOTECHNOLOGY (TW) 2016-10-19 EP disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 US disclosed
EP-2519102-A2 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS Development Center For Biotechnology (TW) 2012-11-07 EP disclosed
WO-2011080568-A2 NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2011-07-07 WO disclosed
WO-2011080568-A2 NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2011-07-07 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-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PTGS2 2768/4885TNFSF10 3135/4885RAB9A 1233/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PTGS2 2768/4885TNFSF10 3135/4885RAB9A 1233/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PTGS2 2768/4885TNFSF10 3135/4885RAB9A 1233/4885

“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.