SCHEMBL5095076

SCHEMBL5095076

CN1CCN(CC(=O)NCC[O])CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALPL P05186 1/20 0.41
PTBP1 P26599 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL27259214 0.87 SIGMAR1 (0.56) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL4578879 0.85 SIGMAR1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL8396113 0.85 SIGMAR1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL11952855 0.84 SIGMAR1 (0.54) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL4579797 0.82 ALDH1A1 (0.77) SIGMAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL4578090 0.82 ALDH1A1 (0.70) SIGMAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL8434592 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL4578358 0.81 ALDH1A1 (0.81) SIGMAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL17937116 0.81 ALDH1A1 (0.71) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL12906765 0.80 ALDH1A1 (0.53) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15

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
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
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
CN-101304978-B Quinazoline derivative as multi-component inhibitor, pharmaceutical composition and application HANMI PHARM IND CO LTD 2012-12-26 CN 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

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-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK SIGMAR1 3484/4885ALDH1A1 3502/4885SMN1; SMN2 3956/4885

“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.