SCHEMBL4859009

SCHEMBL4859009

Cc1nc(NCCOCCO)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PGK1 P00558 1/20 0.49
LMNA P02545 1/20 0.49
PDE5A O76074 1/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 3/20 0.48
RECQL P46063 2/20 0.48
KCNH3 Q9ULD8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SLC2A1 P11166 1/20 0.46
KMT2A Q03164 3/20 0.46
GBA1 P04062 3/20 0.46

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
SCHEMBL4859263 0.86 MAPK1 (0.64) KDM4EHTTTSHRPGK1LMNA
SCHEMBL8898682 0.84 APP (0.60) LATS1KDM4EHTTCYP1A2CYP3A4
SCHEMBL4938097 0.83 TLR7 (0.51) LATS1KDM4EHTTCYP1A2CYP3A4
SCHEMBL4866537 0.83 TSHR (0.49) LATS1KDM4EHTTCYP1A2CYP3A4
SCHEMBL4864697 0.83 MAPK1 (0.73) LATS1KDM4ECYP1A2CYP3A4TSHR
SCHEMBL4859337 0.82 ACHE (0.50) LATS1KDM4EHTTPDE5AMAPK1
SCHEMBL4866812 0.81 MAPT (0.48) LATS1KDM4EHTTTSHRPGK1
SCHEMBL7606516 0.81 LATS1 (0.58) LATS1KDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL7633218 0.79 ALDH1A1 (0.56) LATS1KDM4ECYP1A2CYP3A4TSHR
SCHEMBL7612782 0.79 LATS1 (0.56) LATS1KDM4ECYP1A2CYP3A4HSD17B10

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 LATS1 4035/4885KDM4E 1731/4885HTT 2611/4885

“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.