SCHEMBL5100413

SCHEMBL5100413

COc1ccccc1CNc1nc(C(C)c2ccccc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.63
CYP3A4 P08684 14/20 0.63
CYP2D6 P10635 14/20 0.63
CYP2C19 P33261 14/20 0.63
TSHR P16473 12/20 0.63
LMNA P02545 11/20 0.63
USP2 O75604 10/20 0.63
ALOX15 P16050 5/20 0.63
SLC2A1 P11166 1/20 0.57
CYP2C9 P11712 10/20 0.56
HSD17B10 Q99714 8/20 0.56
KMT2A Q03164 7/20 0.56
CLK4 Q9HAZ1 6/20 0.56
MEN1 O00255 6/20 0.56
MAPK1 P28482 5/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RECQL P46063 2/20 0.56
MAPT P10636 2/20 0.56

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
SCHEMBL5104541 0.91 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4864864 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5103948 0.88 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5102199 0.88 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4864380 0.87 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5107541 0.83 ACHE (0.69) CYP1A2CYP3A4KMT2AMEN1BCHE
SCHEMBL5103792 0.83 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5104646 0.83 ACHE (0.54) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5104358 0.81 APP (0.65) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4868186 0.81 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19TSHR

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 2 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
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US 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 CYP1A2 528/4885CYP3A4 441/4885CYP2D6 1681/4885

“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.