SCHEMBL1190645

SCHEMBL1190645

CN(Cc1ccccc1)CC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.51
AVPR1A P37288 7/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1190642 1.00 OXTR (0.51) OXTRAVPR1AMEN1KMT2AMAPK1
SCHEMBL1190859 1.00 OXTR (0.51) OXTRAVPR1AMEN1KMT2AMAPK1
SCHEMBL82476 0.86 KMT2A (0.51) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL16373718 0.85 GAA (0.59) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL3094416 0.85 GAA (0.45) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL3190543 0.85 GAA (0.45) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL3094410 0.85 GAA (0.45) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL28473802 0.84 OXTR (0.50) OXTRAVPR1AMEN1KMT2AMAPK1
SCHEMBL28476929 0.84 OXTR (0.50) OXTRAVPR1AMEN1KMT2AMAPK1
SCHEMBL28473805 0.84 OXTR (0.50) OXTRAVPR1AMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
EP-1345910-B9 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2014-06-04 EP disclosed
US-8586608-B2 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-11-19 US disclosed
US-RE43431-E1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-05-29 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-02-24 US disclosed
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-14 US disclosed
EP-2112140-A1 Chinazolin derivatives, medicine containing these compounds, application thereof and method for their production Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-10-28 EP disclosed
EP-1345910-B1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-29 EP disclosed
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-7019012-B2 Tyrosine inhibitors; antitumor agents; respiratory system disorders BOEHRINGER INGELHEIM INTERNATIONAL PHARMA GMBH & CO. KG (DE) 2006-03-28 US disclosed
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-21 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 (7 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-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them MAP3K1, MAP4K2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 OXTR 2867/4885AVPR1A 2164/4885MEN1 2032/4885
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, RET, ABL1 OXTR 3266/4885AVPR1A 2658/4885MEN1 2225/4885
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, TYK2 OXTR 3355/4885AVPR1A 2703/4885MEN1 1853/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 OXTR 2231/4885AVPR1A 482/4885MEN1 13/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 OXTR 2556/4885AVPR1A 396/4885MEN1 63/4885
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, JAK1 OXTR 3186/4885AVPR1A 2584/4885MEN1 1512/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 OXTR 2556/4885AVPR1A 396/4885MEN1 63/4885

“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.