SCHEMBL4577656

SCHEMBL4577656

C[C@H](C(=O)NCC[O])N(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA4 P43681 4/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
CHRNA3 P32297 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ECE1 P42892 2/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A3 P47895 1/20 0.31
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4577660 0.83 KMT2A (0.52) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL8956632 0.81 USP2 (0.40) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL18573074 0.79 ECE1 (0.53) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL8976086 0.79 TSHR (0.39) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL8956643 0.78 USP2 (0.38) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL146289 0.77
SCHEMBL10304548 0.76 EPHX1 (0.53)
SCHEMBL27577203 0.76 EPHX1 (0.53)
SCHEMBL4578516 0.75 TSHR (0.39) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL4577871 0.75 USP2 (0.39) USP2TSHRCHRNB2CHRNB4CHRNA4

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 USP2 2716/4885TSHR 4297/4885CHRNB2 2994/4885

“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.