SCHEMBL4863823

SCHEMBL4863823

CCSc1nc(CCCN)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
TLR8 Q9NR97 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ELANE P08246 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PDE7A Q13946 2/20 0.38
PDE10A Q9Y233 1/20 0.37
POLB P06746 2/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL4865326 0.94 TLR8 (0.49) ABCB1TLR8KDM4EMAPK1ADORA2A
SCHEMBL4904315 0.74 APP (0.44) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL14140209 0.73 KDM4E (0.59) ABCB1KDM4EMAPK1ADORA2AADORA1
SCHEMBL1085568 0.73 MEN1 (0.49) ATM
SCHEMBL5113248 0.72 KDM4E (0.56) ABCB1KDM4EMAPK1ADORA2AADORA1
SCHEMBL19159124 0.70 KDM4C (0.48) KDM4EMAPK1
SCHEMBL4868696 0.68 LMNA (0.57) MAPTLMNA
SCHEMBL4867045 0.68 ACP1 (0.63) KDM4EMAPK1ELANEMAPTALDH1A1
SCHEMBL4866041 0.67 LMNA (0.56) KDM4EMAPK1MAPTLMNA
SCHEMBL3792910 0.67 DHFR (0.58) TLR8KDM4EADORA2AMAPTALDH1A1

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 ABCB1 633/4885TLR8 686/4885KDM4E 1731/4885

“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.