SCHEMBL1100728

SCHEMBL1100728

N#CCN1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 2/20 0.48
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL1098531 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL11501758 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EPKMPOLBKMT2A
SCHEMBL4495953 0.85 MAPT (0.45) ALDH1A1KDM4EPKMPOLBSMN1; SMN2
SCHEMBL2576487 0.82 ALDH1A1 (0.50) ALDH1A1PKMPOLBLMNAHTT
SCHEMBL7137154 0.82 ALDH1A1 (0.50) ALDH1A1PKMPOLBLMNAHTT
SCHEMBL11701515 0.82
SCHEMBL11048925 0.81 ALDH1A1 (0.76) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL154974 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EPKMKMT2ALMNA
SCHEMBL3971866 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EPKMKMT2ALMNA
SCHEMBL235856 0.79

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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US claimed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed
EP-1562955-B1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-02-27 EP claimed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US claimed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 US claimed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP claimed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 ALDH1A1 1951/4885KDM4E 660/4885PKM 714/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885KDM4E 2349/4885PKM 1880/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 ALDH1A1 2094/4885KDM4E 2801/4885PKM 1705/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 ALDH1A1 1113/4885KDM4E 1779/4885PKM 2170/4885

“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.