SCHEMBL4866537

SCHEMBL4866537

CC(C)c1nc(NCCOCCO)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LATS1 O95835 1/20 0.46
USP2 O75604 3/20 0.46
PRNP P04156 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 2/20 0.46
KCNH3 Q9ULD8 1/20 0.45
GBA1 P04062 4/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 2/20 0.44
PGK1 P00558 1/20 0.44

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
SCHEMBL4866356 0.87 MAPK1 (0.59) TSHRALDH1A1USP2MAPK1KDM4E
SCHEMBL4859009 0.83 LATS1 (0.49) TSHRALDH1A1LATS1USP2MAPK1
SCHEMBL8898682 0.81 APP (0.60) ALDH1A1LATS1MAPK1KDM4ERECQL
SCHEMBL4938097 0.80 TLR7 (0.51) TSHRALDH1A1LATS1USP2MAPK1
SCHEMBL4864697 0.80 MAPK1 (0.73) TSHRALDH1A1LATS1MAPK1KDM4E
SCHEMBL4859337 0.79 ACHE (0.50) LATS1PRNPNPSR1RXFP1MAPK1
SCHEMBL4866812 0.78 MAPT (0.48) TSHRALDH1A1LATS1MAPK1KDM4E
SCHEMBL4863959 0.78 APP (0.67) MAPK1KDM4EGBA1HTTPDE5A
SCHEMBL7606516 0.78 LATS1 (0.58) ALDH1A1LATS1USP2MAPK1KDM4E
SCHEMBL7606647 0.76 LATS1 (0.79) TSHRALDH1A1LATS1MAPK1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
JP-2008526734-A 2008-07-24 JP claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US disclosed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R TSHR 3842/4885ALDH1A1 2625/4885LATS1 4035/4885

“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.