SCHEMBL474196

SCHEMBL474196

CCC(=O)NCCN(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 2/20 0.46
PMP22 Q01453 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 2/20 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
SCHEMBL16316310 0.91 KMT2A (0.61) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL19057368 0.88 KMT2A (0.58) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL6033392 0.87 MEN1 (0.64) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL17663571 0.84 KMT2A (0.54) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL4577891 0.84 CYP1A2 (0.49) KMT2ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL4577893 0.84 CYP1A2 (0.49) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL20249044 0.84 CYP1A2 (0.49) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL11028511 0.84 CYP1A2 (0.49) KMT2AMEN1CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5041929 0.83 CYP3A4 (0.50) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL15468358 0.83 CASP2 (0.53) KMT2AMEN1CYP2D6CYP1A2CYP3A4

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 US claimed
WO-2021243040-A2 SMALL MOLECULE INHIBITORS OF GRK5 AND GRK5 SUBFAMILY MEMBERS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-12-02 WO disclosed
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-8809341-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
EP-1616899-B2 Novel photoreactive polymers AGFA GRAPHICS NV (BE) 2014-07-02 EP disclosed
EP-2410987-A1 METHODS OF TREATMENT USING COMBINATION THERAPY Ambit Biosciences Corporation (US) 2012-02-01 EP disclosed
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110178396-A1 Nicotinamide Derivatives CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2011-07-21 US disclosed
US-7884111-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
EP-0027952-B1 PROCESS FOR PREPARING N,O-DISUBSTITUTED URETHANES BAYER AG (DE) 1983-04-13 EP disclosed
EP-0027953-B1 PROCESS FOR PREPARING N,O-DISUBSTITUTED URETHANES BAYER AG (DE) 1983-02-16 EP disclosed
EP-0028331-B1 Process for preparing urethanes BAYER AG (DE) 1982-12-15 EP disclosed
EP-0060476-A2 Process for the preparation of N substituted di and/or polyurethanes BAYER AG (DE) 1982-09-22 EP disclosed
EP-0059400-A2 Process for the preparation of urethanes BAYER AG (DE) 1982-09-08 EP disclosed
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 US disclosed
EP-0028331-A1 Process for preparing urethanes BAYER AG (DE) 1981-05-13 EP disclosed
EP-0027952-A1 Process for preparing N,O-disubstituted urethanes BAYER AG (DE) 1981-05-06 EP disclosed
EP-0027940-A1 Process for preparing urethanes BAYER AG (DE) 1981-05-06 EP disclosed
EP-0027953-A1 Process for preparing N,O-disubstituted urethanes BAYER AG (DE) 1981-05-06 EP 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-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents MKI67, TYMP, PCNA KMT2A 999/4885MEN1 2048/4885CYP2D6 3385/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KMT2A 3081/4885MEN1 2746/4885CYP2D6 3838/4885
US-20110178396-A1 Nicotinamide Derivatives NAMPT, NNT, NNMT KMT2A 1010/4885MEN1 330/4885CYP2D6 1181/4885

“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.