SCHEMBL4431055

SCHEMBL4431055

Nc1ncnc2cc(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 11/20 0.54
PI4KA P42356 2/20 0.53
PI4K2B Q8TCG2 2/20 0.53
PI4K2A Q9BTU6 2/20 0.53
PI4KB Q9UBF8 2/20 0.53
EGFR P00533 2/20 0.44
LIMK1 P53667 3/20 0.42
IP6K1 Q92551 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL2509052 0.84 MAP4K4 (0.68) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL6096033 0.79 PI4KA (0.57) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL29663392 0.79 PI4KA (0.57) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL5453911 0.79 EGFR (0.46) MAP4K4EGFRESR1ESR2
SCHEMBL16755291 0.76 PI4KA (0.53) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL20813449 0.76 EGFR (0.44) MAP4K4EGFRESR1ESR2
SCHEMBL6442231 0.76 NR4A2 (0.56) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL7376295 0.76 MAP4K4 (0.54) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL5465224 0.76 PDE4A (0.53) MAP4K4EGFRESR1ESR2
SCHEMBL29728044 0.76 MAP4K4 (0.59) MAP4K4PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107641115-A The preparation method of Barasertib 胡张艳 2018-01-30 CN claimed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
CN-107641115-A The preparation method of Barasertib 胡张艳 2018-01-30 CN disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 CN disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 CN disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 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 (1 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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 MAP4K4 3090/4885PI4KA 3871/4885PI4K2B 4334/4885

“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.