SCHEMBL3536853

SCHEMBL3536853

CCN(CC)CCCC(C)Nc1nc(C=Cc2ccc(Br)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.71
BTK Q06187 2/20 0.69
ERBB4 Q15303 2/20 0.69
CSK P41240 1/20 0.69
CAMK1G Q96NX5 1/20 0.69
CCR4 P51679 1/20 0.66
MELK Q14680 4/20 0.60
LYN P07948 1/20 0.60
FGFR1 P11362 1/20 0.60
FER P16591 1/20 0.60
MATK P42679 1/20 0.60
BLK P51451 1/20 0.60
BMX P51813 1/20 0.60
TEK Q02763 1/20 0.60
CAMK2G Q13555 1/20 0.60
CAMK2D Q13557 1/20 0.60
CAMK1 Q14012 1/20 0.60
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL3536852 1.00 FLT3 (0.71) FLT3BTKERBB4CSKCAMK1G
SCHEMBL7619472 0.90 BTK (0.71) FLT3BTKERBB4CSKCAMK1G
SCHEMBL7619465 0.90 BTK (0.71) FLT3BTKERBB4CSKCAMK1G
SCHEMBL3542142 0.89 CCR4 (0.72) FLT3BTKERBB4CSKCAMK1G
SCHEMBL3542141 0.89 CCR4 (0.72) FLT3BTKERBB4CSKCAMK1G
SCHEMBL13783483 0.86 FLT3 (0.73) FLT3BTKERBB4CSKCAMK1G
SCHEMBL3541032 0.85 CCR4 (0.71) FLT3BTKERBB4CSKCAMK1G
SCHEMBL3541029 0.85 CCR4 (0.71) FLT3BTKERBB4CSKCAMK1G
SCHEMBL7828205 0.85 CXCR4 (0.61) FLT3BTKERBB4CSKCAMK1G
SCHEMBL1612950 0.85 BTK (0.76) FLT3BTKERBB4CSKCAMK1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
US-6444434-B1 COMPOUNDS INHIBITING THE ACTIVATION OF FX TO FXA BY TF/FVIIA. THE COMPOUNDS ARE ANTICOAGULANTS. THE INVENTION ALSO RELATES TO A METHOD OF IDENTIFYING A DRUG CANDIDATE. NOVO NORDISK A/S (DK) 2002-09-03 US disclosed
US-6238878-B1 DRUG SCREENING OF FACTOR VIII-TISSUE FACTOR INHIBITORS BY TESTING EFFECT ON FACTOR X ACTIVATION, FACTOR XA AMIDOLYTIC ASSAY, AND TISSUE FACTOR/FACTOR VIIA AMIDOLYTIC ASSAY; THEN SELECTING COMPOUND BASED ON RESULTS NOVO NORKISK AIS (DK) 2001-05-29 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 FLT3 493/4885BTK 1084/4885ERBB4 487/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 FLT3 224/4885BTK 766/4885ERBB4 601/4885

“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.