SCHEMBL3198358

SCHEMBL3198358

CC(C)Oc1cc(OCc2ccccc2)cc2nc[nH]c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 4/20 0.54
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
GCK P35557 1/20 0.39
EDNRA P25101 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL6158653 0.95 IP6K1 (0.49) IP6K1MCL1L3MBTL1NSD2ABL1
SCHEMBL29717416 0.88 IP6K1 (0.61) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL3275718 0.88 IP6K1 (0.61) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL31728743 0.87 IP6K1 (0.57) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL23068614 0.83 PARP1 (0.39) IP6K1PARP1
SCHEMBL3275884 0.81 IP6K1 (0.61) IP6K1MCL1L3MBTL1NSD2ABL1
SCHEMBL29717506 0.81 IP6K1 (0.61) IP6K1MCL1L3MBTL1NSD2ABL1
SCHEMBL3193429 0.81 QPCT (0.39) IP6K1L3MBTL1
SCHEMBL4292544 0.80 KDM4E (0.37) PARP1
SCHEMBL4033821 0.79 IP6K1 (0.51) IP6K1L3MBTL1NSD2ABL1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-1562612-B1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE FOR USE IN THE TREATMENT OR PROPHLAXIX OF PANCREATIC CANCER ASTRAZENECA AB (SE) 2010-01-27 EP disclosed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-7462623-B2 Quinazoline derivatives as Src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-12-09 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
EP-1562955-B1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use ASTRAZENECA AB (SE) 2006-10-05 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1562612-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE Astrazeneca AB (SE) 2005-08-17 EP disclosed
EP-1562955-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2005-08-17 EP disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004098604-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO 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 (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-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use SRC, TEK, FLT4 IP6K1 1338/4885MCL1 693/4885L3MBTL1 2962/4885
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE SRC, CHUK, CTTN IP6K1 1085/4885MCL1 302/4885L3MBTL1 4006/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 IP6K1 1926/4885MCL1 70/4885L3MBTL1 4849/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI IP6K1 4698/4885MCL1 158/4885L3MBTL1 1960/4885

“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.