SCHEMBL1084153

SCHEMBL1084153

COCCNc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.79
CYP3A4 P08684 10/20 0.79
CYP2C19 P33261 5/20 0.79
ALDH1A1 P00352 5/20 0.79
KDM4E B2RXH2 4/20 0.79
HSD17B10 Q99714 4/20 0.79
TSHR P16473 3/20 0.79
CYP2D6 P10635 3/20 0.79
MAPT P10636 3/20 0.79
TP53 P04637 2/20 0.79
LMNA P02545 1/20 0.79
HPGD P15428 1/20 0.79
HBB P68871 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
ALOX15 P16050 4/20 0.77
USP2 O75604 6/20 0.75
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
CLK4 Q9HAZ1 5/20 0.72
APEX1 P27695 2/20 0.72

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
SCHEMBL1083831 0.84 MEN1 (0.80) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL1085567 0.84 PDE5A (1.00) CYP1A2ALDH1A1KDM4EMAPTMEN1
SCHEMBL4864697 0.82 MAPK1 (0.73) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL4864234 0.81 ACP1 (1.00) ALDH1A1PDE5AMAPK1ACP1GBA1
SCHEMBL4779679 0.81 APP (0.71) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL5534962 0.81 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL8897898 0.81 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL17770433 0.81 PDE5A (0.73) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4868357 0.81 CYP1A1 (0.82) CYP1A2ALDH1A1KDM4EMAPTLMNA
SCHEMBL4867402 0.80 GBA1 (0.98) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E

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 15 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-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
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 CYP1A2 528/4885CYP3A4 441/4885CYP2C19 466/4885

“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.