SCHEMBL4602035

SCHEMBL4602035

CC(C)[C@H](Nc1nc(CN)nc2ccccc12)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
ACHE P22303 4/20 0.45
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
ACP1 P24666 1/20 0.40
CCR4 P51679 3/20 0.39
KCNH2 Q12809 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
TLR8 Q9NR97 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4602032 1.00 CFD (0.47) CFDACHEAPPBCHEALDH1A1
SCHEMBL4602573 0.89 ACHE (0.44) CFDACHEAPPBCHEALDH1A1
SCHEMBL4602578 0.89 ACHE (0.44) CFDACHEAPPBCHEALDH1A1
SCHEMBL4602153 0.88 TACR3 (0.47) CFDACHEAPPBCHEALDH1A1
SCHEMBL4602150 0.88 TACR3 (0.47) CFDACHEAPPBCHEALDH1A1
SCHEMBL14596333 0.88 ACHE (0.46) CFDACHEAPPBCHEALDH1A1
SCHEMBL14595979 0.87 ACHE (0.46) CFDACHEAPPBCHEALDH1A1
SCHEMBL14596335 0.86 ACHE (0.45) CFDACHEAPPBCHEALDH1A1
SCHEMBL4602452 0.86 ACHE (0.47) CFDACHEAPPBCHEALDH1A1
SCHEMBL4602450 0.86 ACHE (0.47) CFDACHEAPPBCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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 (2 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 CFD 4408/4885ACHE 4163/4885APP 4431/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 CFD 4380/4885ACHE 3914/4885APP 4414/4885

“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.