SCHEMBL4521369

SCHEMBL4521369

CN(C)c1nc(N)nc2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
PABPC1 P11940 1/20 0.46
PTGES O14684 2/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 2/20 0.41
MPO P05164 1/20 0.40
EGFR P00533 1/20 0.39
ADORA2A P29274 1/20 0.38
DHFR P00374 3/20 0.38
HTT P42858 2/20 0.36
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDGFRA P16234 1/20 0.35
CDK5 Q00535 1/20 0.35
TYRO3 Q06418 1/20 0.35

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
SCHEMBL4355768 0.87 ADORA2A (0.48) HRH4PABPC1ACHEMPOADORA2A
SCHEMBL5397567 0.81 PTGES (0.42) HRH4PTGESACHEBACE1MPO
SCHEMBL1743306 0.77 HRH4 (0.56) HRH4PABPC1ACHEBACE1MPO
SCHEMBL4523837 0.77 DHFR (0.58) HRH4PABPC1ACHEBACE1DHFR
SCHEMBL29653655 0.77 DHFR (0.58) HRH4PABPC1ACHEBACE1DHFR
SCHEMBL5526236 0.75 SMN1; SMN2 (0.59) ADORA2AHTTSMN1; SMN2
SCHEMBL4522332 0.74 HRH4 (0.55) HRH4DHFRSMN1; SMN2
SCHEMBL5498929 0.74 HRH4 (0.50) HRH4PABPC1ACHEBACE1MPO
Hydrochloric Acid SCHEMBL6605642 0.74 SMN1; SMN2 (0.57) ADORA2AHTTSMN1; SMN2
SCHEMBL22234107 0.74 HRH4 (0.50) HRH4PABPC1PTGESACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885PABPC1 2199/4885PTGES 2886/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885PABPC1 2199/4885PTGES 2886/4885

“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.