SCHEMBL4577878

SCHEMBL4577878

CN(C)C(CO)C(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNA3 P32297 1/20 0.42
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.39
MALT1 Q9UDY8 1/20 0.36
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CXCL8 P10145 1/20 0.31
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL4577871 0.86 USP2 (0.39) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL4579147 0.81 CHRNB2 (0.45) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL4577660 0.77 KMT2A (0.52) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL15223172 0.75 USP2 (0.38) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL6732293 0.72 ALDH1A1 (0.64) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL16798146 0.71 ALDH1A1 (0.56) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL146290 0.70
SCHEMBL525215 0.70 ALDH1A1 (0.61) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL4578522 0.69 TSHR (0.49) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL27742503 0.69 MALT1 (0.30) MALT1

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 9 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
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 USP2 2716/4885MEN1 1070/4885KMT2A 1033/4885

“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.