SCHEMBL13828967

SCHEMBL13828967

Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF10 P50591 1/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
XDH P47989 1/20 0.46
CASP3 P42574 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2117163 0.86 NPC1 (0.49) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL18156616 0.83 NPC1 (0.47) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL2148780 0.82 TNFSF10 (0.47) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL29769219 0.81 XDH (0.58) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL13828996 0.81 RAB9A (0.46) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL28827853 0.80 ACHE (0.52) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL1409329 0.80 NPC1 (0.50) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL16052627 0.79 RAB9A (0.46) TNFSF10RAB9ANPC1KMT2AMEN1
SCHEMBL13828865 0.79 MEN1 (0.61) KMT2AMEN1ABCG2ALDH1A1MAPK1
SCHEMBL10559120 0.79 MEN1 (0.62) TNFSF10RAB9ANPC1KMT2AMEN1

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 5 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-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-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

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 TNFSF10 3135/4885RAB9A 1233/4885NPC1 1292/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS TNFSF10 3135/4885RAB9A 1233/4885NPC1 1292/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS TNFSF10 3135/4885RAB9A 1233/4885NPC1 1292/4885

“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.