SCHEMBL4603852

SCHEMBL4603852

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP2C9 P11712 1/20 0.46
ELANE P08246 1/20 0.44
ACHE P22303 4/20 0.42
BCHE P06276 1/20 0.41
APP P05067 1/20 0.40
CCR4 P51679 3/20 0.39
KCNH2 Q12809 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
ACP1 P24666 1/20 0.37

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
SCHEMBL14585691 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP2C9ELANE
SCHEMBL4603848 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP2C9ELANE
SCHEMBL4632559 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP2C9ELANE
SCHEMBL4602578 0.90 ACHE (0.44) ALDH1A1KMT2AMEN1ACHEBCHE
SCHEMBL4602573 0.90 ACHE (0.44) ALDH1A1KMT2AMEN1ACHEBCHE
SCHEMBL4601095 0.81 CXCR2 (0.46) ALDH1A1KMT2AMEN1ELANEACHE
SCHEMBL4601094 0.81 CXCR2 (0.46) ALDH1A1KMT2AMEN1ELANEACHE
SCHEMBL4632321 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP2C9ELANE
SCHEMBL14584616 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP2C9ELANE
SCHEMBL4632315 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP2C9ELANE

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 ALDH1A1 1994/4885KMT2A 2811/4885MEN1 2363/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 ALDH1A1 2874/4885KMT2A 2503/4885MEN1 1752/4885

“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.