SCHEMBL4602153

SCHEMBL4602153

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.47
CFD P00746 1/20 0.46
ELANE P08246 6/20 0.46
APP P05067 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RECQL P46063 2/20 0.42
MEN1 O00255 2/20 0.42
GBA1 P04062 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ACHE P22303 4/20 0.41
BCHE P06276 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL4602150 1.00 TACR3 (0.47) TACR3CFDELANEAPPKMT2A
SCHEMBL14628248 0.89 ALDH1A1 (0.53) TACR3ELANEKMT2AALDH1A1RECQL
SCHEMBL4602300 0.88 TACR3 (0.47) TACR3CFDELANEAPPKMT2A
SCHEMBL4602296 0.88 TACR3 (0.47) TACR3CFDELANEAPPKMT2A
SCHEMBL4602035 0.88 CFD (0.47) CFDAPPKMT2AALDH1A1MEN1
SCHEMBL4602032 0.88 CFD (0.47) CFDAPPKMT2AALDH1A1MEN1
SCHEMBL14596259 0.87 TACR3 (0.46) TACR3CFDELANEAPPKMT2A
SCHEMBL14596234 0.85 CCR4 (0.45) TACR3CFDELANEKMT2AALDH1A1
SCHEMBL14595714 0.85 TACR3 (0.44) TACR3CFDELANEAPPKMT2A
SCHEMBL4665506 0.84 TACR3 (0.43) TACR3ELANEKMT2AALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP 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 (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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 TACR3 3301/4885CFD 4408/4885ELANE 1019/4885

“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.