SCHEMBL3283285

SCHEMBL3283285

CCOC(=O)CCc1cccnc1.Nc1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
P2RX3 P56373 1/20 0.42
TBXAS1 P24557 1/20 0.42
SYK P43405 5/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
EGFR P00533 2/20 0.40
FGFR1 P11362 1/20 0.39
AURKA O14965 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
Phenyl Propionic Acid SCHEMBL3290703 0.81 GSK3B (0.54) STK17AMEN1KMT2AMAPTNPC1
SCHEMBL3284057 0.79 GSK3B (0.58) STK17AMEN1KMT2AP2RX3MAPT
Butyric Acid SCHEMBL3290948 0.78 STK17A (0.53) STK17AMEN1KMT2AMAPTNPC1
SCHEMBL1916354 0.76 STK17A (0.47) STK17AMEN1KMT2AP2RX3MAPT
SCHEMBL1917249 0.76 STK17A (0.64) STK17AMEN1KMT2AMAPTNPC1
SCHEMBL3284190 0.76 MAPT (0.52) STK17AMEN1KMT2AP2RX3MAPT
SCHEMBL3284056 0.76 SYK (0.50) MEN1KMT2ASYKMAPTRAB9A
Hydroxyphenyl Propionic Acid SCHEMBL3283762 0.76 GSK3B (0.54) STK17AMEN1KMT2AP2RX3MAPT
Hexanoate SCHEMBL3283574 0.75 STK17A (0.52) STK17AMEN1KMT2AMAPTNPC1
SCHEMBL1916430 0.75 STK17A (0.68) STK17AMEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD STK17A 1083/4885MEN1 3444/4885KMT2A 2625/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR STK17A 2304/4885MEN1 591/4885KMT2A 3941/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17A 1083/4885MEN1 3444/4885KMT2A 2625/4885

“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.