SCHEMBL4602296

SCHEMBL4602296

COC(=O)C(Nc1nc(CCl)nc2ccccc12)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.47
ELANE P08246 6/20 0.46
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 5/20 0.41
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CFD P00746 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
GBA1 P04062 2/20 0.39
APP P05067 1/20 0.39
ACHE P22303 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
SCHEMBL4602300 1.00 TACR3 (0.47) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL14628248 0.89 ALDH1A1 (0.53) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL4602153 0.88 TACR3 (0.47) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL4602150 0.88 TACR3 (0.47) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL14595714 0.87 TACR3 (0.44) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL14596259 0.87 TACR3 (0.46) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL4602578 0.87 ACHE (0.44) ALDH1A1KMT2ACFDMAPTMEN1
SCHEMBL4602573 0.87 ACHE (0.44) ALDH1A1KMT2ACFDMAPTMEN1
SCHEMBL14596234 0.85 CCR4 (0.45) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL4665506 0.84 TACR3 (0.43) TACR3ELANEALDH1A1KMT2AKDM4E

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-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
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 TACR3 3301/4885ELANE 1019/4885ALDH1A1 1994/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 TACR3 2826/4885ELANE 838/4885ALDH1A1 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.