SCHEMBL1085568

SCHEMBL1085568

NCCCc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HCRTR1 O43613 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.47
PRNP P04156 1/20 0.47
ATM Q13315 2/20 0.46
PDE5A O76074 6/20 0.46
ACP1 P24666 2/20 0.45
GBA1 P04062 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TGFBR1 P36897 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL4904315 0.79 APP (0.44) KMT2APDE5AGBA1
SCHEMBL7759073 0.77 PRNP (0.60) MEN1KMT2AHCRTR1ABCG2PRNP
SCHEMBL10674022 0.76 SIRT5 (0.58) MEN1KMT2AHCRTR1ABCG2PRNP
SCHEMBL28909334 0.76 PDE5A (0.50) MEN1KMT2AHCRTR1ABCG2ATM
SCHEMBL7831588 0.76 PDE5A (0.50) MEN1KMT2AHCRTR1ABCG2ATM
SCHEMBL10316110 0.76 ACP1 (0.58) MEN1KMT2AHCRTR1ABCG2ATM
SCHEMBL13502532 0.73 PRNP (0.59) MEN1KMT2AHCRTR1ABCG2PRNP
SCHEMBL4863823 0.73 ABCB1 (0.43) ATM
SCHEMBL27928278 0.73 ADORA3 (0.60) MEN1KMT2AABCG2CYP1A1CYP1A2
SCHEMBL27576034 0.72 MEN1 (0.61) MEN1KMT2AHCRTR1ABCG2ATM

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 12 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
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 US 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-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 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
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 US 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 (3 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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, KCNN2, CACNA1I MEN1 2516/4885KMT2A 2608/4885HCRTR1 1867/4885
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R MEN1 3837/4885KMT2A 1662/4885HCRTR1 2299/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I MEN1 2516/4885KMT2A 2608/4885HCRTR1 1867/4885

“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.