SCHEMBL4577535

SCHEMBL4577535

CN1CCCC1C(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
FKBP1A P62942 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL5737180 1.00 CYP3A4 (0.47) CYP3A4CYP2D6NPSR1HTTPOLB
SCHEMBL9348800 0.95 CYP3A4 (0.42) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL12733389 0.86 NPSR1 (0.48) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL26343602 0.86 NPSR1 (0.48) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL4577528 0.86 CYP3A4 (0.47) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL4579409 0.86 CYP3A4 (0.47) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL24368205 0.85 CYP3A4 (0.46) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL12733444 0.85 CYP3A4 (0.46) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL13997594 0.85 CYP3A4 (0.46) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL21696640 0.83 NPSR1 (0.59) CYP3A4CYP2D6NPSR1POLBTSHR

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 12 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-20100247483-A1 Therapeutic agent composition and method of use TRAN LOI H 2010-09-30 US 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
US-20070244039-A1 Therapeutic agent composition and method of use TRAN LOI H 2007-10-18 US disclosed
US-7232798-B2 Cyclic Prolyl Glycine (\"cyclic PG\" or \"cPG\") and analogs and mimetics thereof, as neuroprotective agents for the treatment and or prevention of neurological disorders including but not limited to cerebral ischemia or cerebral infarction resulting NEUROBIOMED CORPORATION 2007-06-19 US 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 CYP3A4 1568/4885CYP2D6 1474/4885NPSR1 2430/4885

“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.