SCHEMBL4867505

SCHEMBL4867505

Clc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 1.00
PDE5A O76074 4/20 1.00
TP53 P04637 2/20 0.82
GAA P10253 2/20 0.82
MAPT P10636 2/20 0.82
POLB P06746 1/20 0.82
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
LMNA P02545 1/20 0.74
TGFBR1 P36897 1/20 0.71
MAPK14 Q16539 1/20 0.71
ABCC1 P33527 1/20 0.70
ALK Q9UM73 1/20 0.69
KDM1A O60341 1/20 0.68

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
SCHEMBL12316824 0.90 GAA (1.00) ABCG2PDE5ATP53GAAMAPT
SCHEMBL8093527 0.90 ABCG2 (0.82) ABCG2PDE5ATP53GAAMAPT
SCHEMBL1063103 0.89 ABCG2 (1.00) ABCG2PDE5ATP53GAAMAPT
SCHEMBL1064901 0.89 TGFBR1 (0.82) ABCG2PDE5ATP53GAAMAPT
SCHEMBL13945460 0.88 ABCG2 (0.83) ABCG2PDE5ATP53GAAMAPT
SCHEMBL4868573 0.88 ABCG2 (1.00) ABCG2PDE5ATP53GAAMAPT
SCHEMBL13969181 0.87 ABCG2 (0.76) ABCG2PDE5ATP53GAAMAPT
SCHEMBL14262835 0.86 ABCG2 (0.82) ABCG2PDE5ATP53GAAMAPT
SCHEMBL3971162 0.85 ABCG2 (0.74) ABCG2PDE5ATP53GAAMAPT
SCHEMBL2299801 0.85 ABCG2 (0.74) ABCG2PDE5ATP53GAAMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374694-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2015-12-31 US claimed
WO-2014130411-A9 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-10-16 WO claimed
WO-2014130411-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-08-28 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 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-10322125-B2 TGF-beta enhancing compositions for cartilage repair and methods related thereto EMORY UNIVERSITY (US) 2019-06-18 US disclosed
US-20150374694-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2015-12-31 US disclosed
WO-2014130411-A9 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-10-16 WO disclosed
WO-2014130411-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-08-28 WO 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 (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-20150374694-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO COL2A1, TGFB1, TGFBR1 ABCG2 4655/4885PDE5A 377/4885TP53 928/4885
US-10322125-B2 TGF-beta enhancing compositions for cartilage repair and methods related thereto COL2A1, TGFB1, TGFBR1 ABCG2 4655/4885PDE5A 377/4885TP53 928/4885
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R ABCG2 207/4885PDE5A 204/4885TP53 4280/4885

“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.