SCHEMBL1098528

SCHEMBL1098528

N#CCN1CCN(CCC[O])CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4495949 0.94 MAPT (0.45) ALDH1A1PKMMAPTPOLBHRH3
SCHEMBL1100727 0.86 ALDH1A1 (0.48) ALDH1A1PKMMAPTPOLBSMN1; SMN2
SCHEMBL5221209 0.83 ALDH1A1 (0.70) ALDH1A1PKMMAPTPOLBSMN1; SMN2
SCHEMBL11501758 0.81 ALDH1A1 (0.57) ALDH1A1PKMMAPTPOLBHRH3
SCHEMBL3657869 0.78 ALDH1A1 (0.44) ALDH1A1PKMMAPTPOLB
SCHEMBL1098531 0.78 ALDH1A1 (0.44) ALDH1A1PKMMAPTPOLBHRH3
SCHEMBL1097082 0.78 MAOB (0.33)
SCHEMBL7137154 0.78 ALDH1A1 (0.50) ALDH1A1PKMMAPTPOLBSMN1; SMN2
SCHEMBL11701515 0.78
SCHEMBL2576487 0.78 ALDH1A1 (0.50) ALDH1A1PKMMAPTPOLBSMN1; SMN2

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 166 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
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US claimed
US-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US claimed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES 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
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE 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-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 1951/4885PKM 714/4885MAPT 4555/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885PKM 1880/4885MAPT 3649/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 ALDH1A1 2094/4885PKM 1705/4885MAPT 3010/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 ALDH1A1 1113/4885PKM 2170/4885MAPT 4424/4885

“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.