SCHEMBL4578431

SCHEMBL4578431

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
HTT P42858 3/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 3/20 0.45
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL4578439 0.84 KMT2A (0.52) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL10272740 0.84 TDP1 (0.62) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL4578300 0.84 KMT2A (0.52) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL13881928 0.82 KMT2A (0.50) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL1446123 0.81 EPHX2 (0.50) KMT2AHTTTDP1ALDH1A1EPHX2
SCHEMBL16222288 0.81 KMT2A (0.48) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL10053024 0.81 TDP1 (0.66) KMT2AHTTMEN1TDP1KDM4E
SCHEMBL4035829 0.79 TDP1 (0.59) KMT2AHTTMEN1TDP1KDM4E
SCHEMBL18713106 0.79 KDM4E (0.65) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL22115331 0.79 NAMPT (0.53) KMT2AHTTMEN1TDP1CYP1A2

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 10 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-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
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 (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 KMT2A 1033/4885HTT 1246/4885MEN1 1070/4885

“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.