SCHEMBL2728504

SCHEMBL2728504

O=C(/C=N\O)Nc1ccc(F)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.49
EGFR P00533 5/20 0.46
ERBB2 P04626 3/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
IDO1 P14902 2/20 0.42
ACHE P22303 6/20 0.40
TDO2 P48775 1/20 0.39

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
SCHEMBL29700071 1.00 MEN1 (0.61) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL4091794 1.00 MEN1 (0.61) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL2728508 1.00 MEN1 (0.61) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL21848352 0.88 MEN1 (0.61) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL31544172 0.88 MEN1 (0.61) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL21848350 0.88 MEN1 (0.61) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL10578571 0.85 MEN1 (0.67) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL10578566 0.85 MEN1 (0.67) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL27530711 0.81 MEN1 (0.53) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL7826640 0.81 MEN1 (0.53) MEN1KMT2ACYP1A2NPSR1MAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016952-A1 SUBSTITUTED AMINO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2016-01-21 US disclosed
US-20160016952-A1 SUBSTITUTED AMINO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2016-01-21 US disclosed
US-9145411-B2 Substituted amino-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-09-29 US disclosed
US-9145411-B2 Substituted amino-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-09-29 US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
WO-2014022728-A1 SUBSTITUTED 5 - (QUINAZOLIN - 2 - YL) PYRIMIDIN- 2 -AMINE DERIVATIVES USEFUL AS PI3K/MTOR INHIBITORS FOR THE TREATMENT OF CANCER ENDO PHARMACEUTICALS, INC (US) 2014-02-06 WO disclosed
US-20140038952-A1 Substituted Amino-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-02-06 US disclosed
US-20140038952-A1 Substituted Amino-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-02-06 US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 US disclosed
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 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 (6 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-20160016952-A1 SUBSTITUTED AMINO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, AKT3 MEN1 4217/4885KMT2A 1856/4885CYP1A2 1802/4885
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 MEN1 3430/4885KMT2A 1584/4885CYP1A2 1891/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 MEN1 3430/4885KMT2A 1584/4885CYP1A2 1891/4885
US-20140038952-A1 Substituted Amino-Pyrimidine Derivatives MTOR, PIK3CA, AKT3 MEN1 4217/4885KMT2A 1856/4885CYP1A2 1802/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 MEN1 3430/4885KMT2A 1584/4885CYP1A2 1891/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 MEN1 3430/4885KMT2A 1584/4885CYP1A2 1891/4885

“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.