SCHEMBL4578424

SCHEMBL4578424

O=C(CN1CCOCC1)NCCO

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.82
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL4578420 0.85 SMN1; SMN2 (0.82) SMN1; SMN2KMT2ATSHRMEN1CYP3A4
SCHEMBL23929061 0.85 SMN1; SMN2 (0.82) SMN1; SMN2KMT2ATSHRMEN1CYP3A4
SCHEMBL5840443 0.85 SMN1; SMN2 (0.75) SMN1; SMN2KMT2ATSHRMEN1CYP3A4
SCHEMBL8616990 0.84 SMN1; SMN2 (0.79) SMN1; SMN2KMT2ATSHRMEN1CYP3A4
SCHEMBL4578093 0.82 ALDH1A1 (0.70) SMN1; SMN2KMT2ATSHRMEN1CYP3A4
SCHEMBL4579798 0.82 ALDH1A1 (0.77) SMN1; SMN2TSHRHTTALDH1A1KDM4E
SCHEMBL29070246 0.82 HSD17B10 (0.68) SMN1; SMN2KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL5840433 0.81 SMN1; SMN2 (0.75) SMN1; SMN2KMT2ATSHRMEN1CYP3A4
SCHEMBL2929473 0.81 ALDH1A1 (0.81) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL17937106 0.80 SMN1; SMN2 (0.72) SMN1; SMN2KMT2ATSHRMEN1CYP3A4

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-11325940-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2022-05-10 US 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-11325940-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 SMN1; SMN2 3577/4885KMT2A 2329/4885TSHR 4621/4885
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK SMN1; SMN2 3956/4885KMT2A 1033/4885TSHR 4297/4885

“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.