SCHEMBL4586985

SCHEMBL4586985

O=C(CCl)Nc1ccc2ncnc(Nc3ccccc3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.78
GMPS P49915 2/20 0.73
FYN P06241 3/20 0.67
SRC P12931 3/20 0.67
ERBB2 P04626 4/20 0.66
VCP P55072 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL18996626 0.90 EGFR (0.64) EGFRGMPSFYNSRCERBB2
SCHEMBL4585990 0.88 EGFR (1.00) EGFRGMPSERBB2HDAC3HDAC4
SCHEMBL4354580 0.88 EGFR (0.78) EGFRGMPSERBB2
SCHEMBL4585935 0.88 EGFR (1.00) EGFRGMPSFYNSRCERBB2
SCHEMBL31318107 0.85 GMPS (1.00) EGFRGMPSERBB2
SCHEMBL22971857 0.85 GMPS (1.00) EGFRGMPSERBB2
SCHEMBL4588756 0.85 EGFR (0.79) EGFRGMPSFYNSRCVCP
SCHEMBL27923378 0.85 FYN (0.73) EGFRFYNSRCERBB2VCP
SCHEMBL8976404 0.84 EGFR (0.69) EGFRGMPSFYNSRCERBB2
Hydrochloric Acid SCHEMBL8104687 0.84 EGFR (0.70) EGFRGMPSERBB2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 US disclosed
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP disclosed
EP-1957468-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4 - (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE T.K. Signal Ltd. (IL) 2008-08-20 EP disclosed
US-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase T.K. SIGNAL LTD. (IL) 2008-03-06 US disclosed
WO-2007029251-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4- (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GR0WTH FACT0R RECEPTOR TYROSINE KINASE T.K. SIGNAL LTD. (IL) 2007-03-15 WO disclosed
WO-2006085330-A2 USE OF PROTEIN TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF LEIOMYOMAS HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2006-08-17 WO disclosed
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis T.K. SIGNAL LTD. (IL) 2006-02-02 US disclosed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 EP disclosed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 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 (2 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-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase EGFR, TK1, ERBB2 EGFR 1/4885GMPS 1174/4885FYN 459/4885
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis EGFR, ERBB2, ERBB3 EGFR 1/4885GMPS 1976/4885FYN 159/4885

“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.