SCHEMBL4577930

SCHEMBL4577930

CN(C)CCCC(=O)NCCO

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.66
CNR1 P21554 4/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
SELP P16109 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
FAAH O00519 1/20 0.46
KCNK3 O14649 1/20 0.46
CNR2 P34972 1/20 0.46
PAOX Q6QHF9 1/20 0.46
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL8773743 0.92 DNM1 (0.76) DNM1FAAHPAOXHPGDMAPT
SCHEMBL23899001 0.88 DNM1 (0.82) DNM1FAAHPAOXHPGDMAPT
SCHEMBL4577306 0.88 DNM1 (0.55) DNM1CNR1ALDH1A1MEN1BLM
SCHEMBL7137887 0.86 DNM1 (0.79) DNM1FAAHPAOX
SCHEMBL1527147 0.85 DNM1 (0.72) DNM1MEN1KMT2APAOXHPGD
SCHEMBL4577925 0.84 DNM1 (0.61) DNM1FAAHPAOXMAPT
SCHEMBL14500629 0.84 DNM1 (0.71) DNM1CNR1MEN1KMT2AFAAH
SCHEMBL8956303 0.84 DNM1 (0.61) DNM1FAAHPAOXMAPT
SCHEMBL23543219 0.82 DNM1 (0.80) DNM1CNR1FAAH
SCHEMBL9498400 0.82 DNM1 (0.71) DNM1CNR1ALDH1A1MEN1BLM

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-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP claimed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US claimed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP claimed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO claimed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 US disclosed
EP-3956346-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY Provincial Health Services Authority (CA) 2022-02-23 EP disclosed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 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-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY CXCR4, CXCR1, FPR1 DNM1 2917/4885CNR1 95/4885ALDH1A1 3495/4885
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK DNM1 1616/4885CNR1 3116/4885ALDH1A1 3502/4885

“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.