SCHEMBL3201059

SCHEMBL3201059

Nc1ccnc2c1OCO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL3581102 0.83 NCF1 (0.32) NCF1
Hydrochloric Acid SCHEMBL3585467 0.82 NCF1 (0.31) NCF1
SCHEMBL4820283 0.75 BMPR1B (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL7704567 0.75 PRKCI (0.34) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL13986149 0.75 CCR1 (0.35) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL30147923 0.75 ACVRL1 (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL21598429 0.75 ACVRL1 (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL13399609 0.72 ACVRL1 (0.33) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL20898112 0.71 PARP1 (0.32)
SCHEMBL20898114 0.71 CHRNB4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-7462623-B2 Quinazoline derivatives as Src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-12-09 US disclosed
EP-1562955-B1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP 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-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 US disclosed
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-06-08 US disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1620104-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE Astrazeneca AB (SE) 2006-02-01 EP 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
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-2004069249-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 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

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

For each of this compound's patents that has machine-readable text (5 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 NCF1 261/4885BMPR1B 1323/4885BMPR1A 997/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 NCF1 2593/4885BMPR1B 4113/4885BMPR1A 2991/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 NCF1 369/4885BMPR1B 3903/4885BMPR1A 3497/4885
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE SRC, CHUK, CTTN NCF1 682/4885BMPR1B 3632/4885BMPR1A 3563/4885
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors SRC, ABL1, ERBB2 NCF1 778/4885BMPR1B 4228/4885BMPR1A 4439/4885

“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.