SCHEMBL14809495

SCHEMBL14809495

CCCP(=O)(OCC)c1ccc(C(N)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.51
POLB P06746 1/20 0.44
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16260353 0.87 AOX1 (0.52) AOX1POLBCCNT1CDK9ALDH1A1
SCHEMBL5488235 0.83 AOX1 (0.70) AOX1POLBCCNT1CDK9ALDH1A1
SCHEMBL14809538 0.82 POLB (0.49) POLBALDH1A1GAAMAPTLMNA
SCHEMBL14809629 0.81 POLB (0.47) AOX1POLBALDH1A1GAAMAPT
SCHEMBL14821183 0.81 POLB (0.47) AOX1POLBALDH1A1GAAMAPT
SCHEMBL16263693 0.81 POLB (0.47) AOX1POLBALDH1A1GAAMAPT
SCHEMBL16263695 0.81 POLB (0.47) AOX1POLBALDH1A1GAAMAPT
SCHEMBL14808837 0.80 AOX1 (0.46) AOX1POLBCCNT1CDK9ALDH1A1
Hydrochloric Acid SCHEMBL14809514 0.79 POLB (0.46) POLBALDH1A1GAAMAPTLMNA
SCHEMBL14822370 0.79 POLB (0.50) POLBALDH1A1GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
EP-2758059-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013040790-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013040790-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 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 (1 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-20140349972-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 AOX1 936/4885POLB 324/4885CCNT1 1217/4885

“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.