SCHEMBL380111

SCHEMBL380111

COc1cc(C(=O)OCc2ccccc2)c(F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 3/20 0.47
PRKCZ Q05513 1/20 0.47
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL1974587 0.86 ALDH1A1 (0.55) KMT2APOLBALDH1A1TDP1CYP3A4
SCHEMBL1354021 0.85 HTR4 (0.49) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL18782372 0.82 ALDH1A1 (0.64) KMT2APOLBALDH1A1TDP1CYP3A4
SCHEMBL25606243 0.81 ALDH1A1 (0.55) KMT2APOLBALDH1A1TDP1CYP3A4
SCHEMBL24984267 0.80 ALDH1A1 (0.54) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL30141089 0.80 ALDH1A1 (0.54) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL23459152 0.80 KDM4E (0.52) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL2089698 0.80 KDM4E (0.52) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL25289833 0.79 ALDH1A1 (0.53) KMT2APOLBALDH1A1TDP1CYP3A4
SCHEMBL30467421 0.79 ALDH1A1 (0.53) KMT2APOLBALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 EP disclosed
EP-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 EP disclosed
US-20140051674-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-20 US disclosed
US-20140051674-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-20 US disclosed
US-20140051674-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-20 US disclosed
EP-2408752-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-01-25 EP disclosed
US-20110071158-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071158-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071158-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
WO-2010106097-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 WO disclosed
WO-2010106097-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (2 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-20140051674-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 KMT2A 3172/4885MEN1 89/4885POLB 2722/4885
US-20110071158-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 KMT2A 3172/4885MEN1 89/4885POLB 2722/4885

“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.