SCHEMBL4577611

SCHEMBL4577611

C=CCNC(=O)NCC[O]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL252121 0.85 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL8060600 0.85 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL14320217 0.84 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4577617 0.82 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL24132826 0.82 EPHX1 (0.52) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL5052305 0.80 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1682163 0.80 EPHX1 (0.52) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL9519270 0.78 MAPT (0.47) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL11520785 0.77 EPHX1 (0.61) TSHRSMN1; SMN2MAPTFAAH
SCHEMBL4579852 0.76

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 TSHR 4297/4885SMN1; SMN2 3956/4885MAPT 1395/4885

“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.