SCHEMBL5097235

SCHEMBL5097235

CCN(CC)CCC(=O)NC(C)CO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
ALDH1A1 P00352 2/20 0.45
KCNK3 O14649 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TERT O14746 6/20 0.41
CNR1 P21554 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
SMARCA2 P51531 1/20 0.37

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
SCHEMBL5097227 0.85 TERT (0.41) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL7137889 0.82 MEN1 (0.52) ALDH1A1TERTMEN1KMT2ATSHR
SCHEMBL8681480 0.80 CNR2 (0.51) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL7511551 0.78 CNR2 (0.56) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL27721819 0.76 TERT (0.42) CNR2ALDH1A1TERTMEN1KMT2A
SCHEMBL13756157 0.74 FAAH (0.47) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL14712883 0.73
SCHEMBL5091085 0.73
SCHEMBL8471343 0.73
SCHEMBL13756164 0.73 FAAH (0.46) CNR2ALDH1A1KCNK3THRBBLM

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 5 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
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 CNR2 2644/4885ALDH1A1 3502/4885KCNK3 448/4885

“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.