SCHEMBL4866356

SCHEMBL4866356

CC(C)c1nc(NCCO)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
HTT P42858 3/20 0.57
TAAR1 Q96RJ0 3/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
PGK1 P00558 1/20 0.55
KDM4E B2RXH2 3/20 0.54
RAD52 P43351 4/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
MITF O75030 1/20 0.54
TTR P02766 1/20 0.54
GLA P06280 1/20 0.54
RAB9A P51151 1/20 0.54
GBA1 P04062 1/20 0.53
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL4866537 0.87 TSHR (0.49) MAPK1HTTTAAR1POLBSMN1; SMN2
SCHEMBL4863959 0.84 APP (0.67) MAPK1HTTKDM4ELMNAGBA1
SCHEMBL4867595 0.81 APP (0.56) MAPK1HTTALDH1A1TSHRKDM4E
SCHEMBL4863048 0.81 APP (0.66) MAPK1HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL4859263 0.80 MAPK1 (0.64) MAPK1HTTTAAR1POLBSMN1; SMN2
SCHEMBL16404321 0.80 MAPK1 (0.82) MAPK1HTTTAAR1POLBSMN1; SMN2
SCHEMBL12141863 0.77 KDM4E (0.69) MAPK1HTTTAAR1POLBSMN1; SMN2
SCHEMBL7337304 0.77 APP (0.70) MAPK1HTTTAAR1POLBSMN1; SMN2
SCHEMBL5107692 0.77 MAPK1 (0.59) MAPK1HTTTAAR1POLBSMN1; SMN2
SCHEMBL12711803 0.76 APP (0.66) HTTALDH1A1TSHRKDM4ELMNA

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 MAPK1 513/4885HTT 2611/4885TAAR1 3444/4885

“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.