SCHEMBL13206271

SCHEMBL13206271

CN(C)CCCN(C)C(=N)NN

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
HRH2 P25021 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DNM1 Q05193 3/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CTH P32929 1/20 0.31

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
SCHEMBL13206278 0.86 HRH4 (0.34) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL15721351 0.81 DNM1 (0.39) DNM1
SCHEMBL14344714 0.72 ALDH1A1 (0.43) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL14344944 0.72
SCHEMBL6448534 0.68 TDP1 (0.42) ALDH1A1HRH4TDP1CYP1A2HRH2
Bromide SCHEMBL9290866 0.67 HRH4 (0.41) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL1290871 0.66 ALDH1A1 (0.75) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL212626 0.66
SCHEMBL15653421 0.66 ALDH1A1 (0.47) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL14999475 0.65 PRMT3 (0.36) ALDH1A1HRH4TDP1CYP1A2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777032-B2 N-4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-N6-(3-ethyl-oxazolidin-2-ylidene)-quinazoline-4,6-diamine; use as type I receptor tyrosine kinase inhibitor; hyperproliferation diseases such as cancer; antiinflammatory agents ARRAY BIOPHARMA INC. (US) 2010-08-17 US disclosed
US-7777032-B2 N-4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-N6-(3-ethyl-oxazolidin-2-ylidene)-quinazoline-4,6-diamine; use as type I receptor tyrosine kinase inhibitor; hyperproliferation diseases such as cancer; antiinflammatory agents ARRAY BIOPHARMA INC. (US) 2010-08-17 US disclosed
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-10-29 US disclosed
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-10-29 US disclosed
US-7585975-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2009-09-08 US disclosed
US-7585975-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2009-09-08 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ARRAY BIOPHARM, INC. (US) 2008-08-14 US disclosed
US-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ARRAY BIOPHARM, INC. (US) 2008-08-14 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-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ABL1, ERBB2, FLT3 ALDH1A1 2241/4885HRH4 259/4885TDP1 839/4885
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ABL1, ERBB2, FLT3 ALDH1A1 2241/4885HRH4 259/4885TDP1 839/4885

“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.