SCHEMBL4601095

SCHEMBL4601095

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.46
CX3CR1 P49238 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ELANE P08246 4/20 0.43
ACHE P22303 3/20 0.43
BCHE P06276 1/20 0.41
APP P05067 1/20 0.41
ACP1 P24666 1/20 0.40
SYK P43405 1/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL4601094 1.00 CXCR2 (0.46) CXCR2CX3CR1ALDH1A1ELANEACHE
SCHEMBL4602573 0.83 ACHE (0.44) ALDH1A1ACHEBCHEAPPACP1
SCHEMBL4602578 0.83 ACHE (0.44) ALDH1A1ACHEBCHEAPPACP1
SCHEMBL4603852 0.81 ALDH1A1 (0.46) ALDH1A1ELANEACHEBCHEAPP
SCHEMBL4632559 0.81 ALDH1A1 (0.46) ALDH1A1ELANEACHEBCHEAPP
SCHEMBL14585691 0.81 ALDH1A1 (0.46) ALDH1A1ELANEACHEBCHEAPP
SCHEMBL4603848 0.81 ALDH1A1 (0.46) ALDH1A1ELANEACHEBCHEAPP
SCHEMBL14628425 0.80 TACR3 (0.43) CXCR2CX3CR1ALDH1A1ELANEACHE
SCHEMBL4095030 0.78 APP (0.60) ALDH1A1ELANEACHEBCHEAPP
SCHEMBL5531951 0.77 HRH1 (0.43) MEN1KMT2A

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 11 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
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US 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-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
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 CXCR2 1069/4885CX3CR1 2982/4885ALDH1A1 1994/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 CXCR2 592/4885CX3CR1 1770/4885ALDH1A1 2874/4885

“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.